CAS RN: 84638-44-8
CAS Name: (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester
OPENEYE Name: methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylate
IUPAC Name: methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-(2-hydroxyethylidene)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (4S,5E,6S)-4-[2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-oxidanylidene-ethyl]-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-(2-oxidanylethylidene)-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C25H32O14
MOLECULAR WEIGHT: 556.51318
SMILES: COC(=O)C1=CO[C@H](/C(=C/CO)/[C@@H]1CC(=O)OCCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 84495-22-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H48O6
MOLECULAR WEIGHT: 540.73062
SMILES: CC1CCC2(CC3CC(O2)C/C=C(/CC(/C=C/C=C(/C4(CC(=O)C(=CC4C(=O)O3)C)O)\C)C)\C)OC1C(C)C
Structure:
CAS RN: 84412-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)O)C)COC(=O)/C=C(\C)/CCO
Structure:
CAS RN: 84123-43-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H50ClN3O10
MOLECULAR WEIGHT: 732.26
SMILES: CC1C(C1C(=O)N(C)C(C)C(=O)OC2CC(=O)NC3=C(C(=CC(=C3)C/C(=C/C=C/C(C4(CC(C(C5C2(O5)C)C)OC(=O)N4)O)OC)/C)OC)Cl)C
Structure:
CAS RN: 83861-75-0
CAS Name: (2E,5E)-1-octa-2,5-dienol
OPENEYE Name: (2E,5E)-octa-2,5-dien-1-ol
IUPAC Name: (2E,5E)-octa-2,5-dien-1-ol
SYSTEMATIC NAME: (2E,5E)-octa-2,5-dien-1-ol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC/C=C/C/C=C/CO
Structure:
CAS RN: 83654-15-3
CAS Name: acetic acid [2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)pent-1-en-4-ynyl]phenyl] ester
OPENEYE Name: [2-acetoxy-4-[(E)-5-(3,4-diacetoxyphenyl)pent-1-en-4-ynyl]phenyl] acetate
IUPAC Name: [2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)pent-1-en-4-ynyl]phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-[(E)-5-(3,4-diacetyloxyphenyl)pent-1-en-4-ynyl]phenyl] ethanoate
MOLECULAR FORMULA: C25H22O8
MOLECULAR WEIGHT: 450.43738
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/CC#CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 83615-26-3
CAS Name: (2E,4E)-octa-2,4-dienoic acid
OPENEYE Name: (2E,4E)-octa-2,4-dienoic acid
IUPAC Name: (2E,4E)-octa-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-octa-2,4-dienoic acid
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CCC/C=C/C=C/C(=O)O
Structure:
CAS RN: 83483-57-2
CAS Name: acetic acid [(6E,11Z)-hexadeca-6,11-dienyl] ester
OPENEYE Name: [(6E,11Z)-hexadeca-6,11-dienyl] acetate
IUPAC Name: [(6E,11Z)-hexadeca-6,11-dienyl] acetate
SYSTEMATIC NAME: [(6E,11Z)-hexadeca-6,11-dienyl] ethanoate
MOLECULAR FORMULA: C18H32O2
MOLECULAR WEIGHT: 280.44548
SMILES: CCCC/C=C\CCC/C=C/CCCCCOC(=O)C
Structure:
CAS RN: 83474-71-9
CAS Name: 4-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-2-benzofuranyl]-5-(3-methylbut-2-enyl)benzene-1,2-diol
OPENEYE Name: 4-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-benzofuran-2-yl]-5-(3-methylbut-2-enyl)benzene-1,2-diol
IUPAC Name: 4-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-1-benzofuran-2-yl]-5-(3-methylbut-2-enyl)benzene-1,2-diol
SYSTEMATIC NAME: 4-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxidanyl-1-benzofuran-2-yl]-5-(3-methylbut-2-enyl)benzene-1,2-diol
MOLECULAR FORMULA: C29H34O4
MOLECULAR WEIGHT: 446.57786
SMILES: CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=C2)C3=CC(=C(C=C3CC=C(C)C)O)O)O)/C)C
Structure:
CAS RN: 83471-31-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H50O7
MOLECULAR WEIGHT: 570.7566
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)C)C(=O)O3)O)C)\C)O[C@@H]1C(C)C
Structure:
CAS RN: 83459-43-2
CAS Name: (E)-3-phenyl-2-propenoic acid [(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] ester
OPENEYE Name: [(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(1S,4aR,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methanoyl-7-methyl-4a,7-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C25H30O12
MOLECULAR WEIGHT: 522.4985
SMILES: C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4)O
Structure:
CAS RN: 83348-22-5
CAS Name: (1R,4aR,5R,7aR)-7-[[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-5-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,4aR,5R,7aR)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (1R,4aR,5R,7aR)-7-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1R,4aR,5R,7aR)-7-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C26H30O14
MOLECULAR WEIGHT: 566.508
SMILES: COC(=O)C1=CO[C@@H]([C@@H]2[C@H]1[C@@H](C=C2COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 84638-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2
MOLECULAR WEIGHT: 278.39138
SMILES: C/C=C\1/CN2CC[C@H]1C(=C)C3=C(CC2)C4=CC=CC=C4N3
Structure:
CAS RN: 151379-49-6
CAS Name: (2S)-2,6-diaminohexanoic acid; 2-[[4-[(1R,2R)-2-[(E)-2-(2-naphthalenyl)ethenyl]cyclopropyl]-1-oxobutyl]amino]benzoic acid
OPENEYE Name: (2S)-2,6-diaminohexanoic acid; 2-[4-[(1R,2R)-2-[(E)-2-(2-naphthyl)vinyl]cyclopropyl]butanoylamino]benzoic acid
IUPAC Name: (2S)-2,6-diaminohexanoic acid; 2-[4-[(1R,2R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoylamino]benzoic acid
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 2-[4-[(1R,2R)-2-[(E)-2-naphthalen-2-ylethenyl]cyclopropyl]butanoylamino]benzoic acid
MOLECULAR FORMULA: C32H39N3O5
MOLECULAR WEIGHT: 545.66916
SMILES: C1[C@H]([C@@H]1/C=C/C2=CC3=CC=CC=C3C=C2)CCCC(=O)NC4=CC=CC=C4C(=O)O.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 84029-92-5
CAS Name: 1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 1-(1-ethoxyethoxy)-2-methoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C14H20O3
MOLECULAR WEIGHT: 236.3068
SMILES: CCOC(C)OC1=C(C=C(C=C1)/C=C/C)OC
Structure:
CAS RN: 84012-63-5
CAS Name: (4E)-3,7-dimethyl-3-octa-1,4,6-trienol
OPENEYE Name: (4E)-3,7-dimethylocta-1,4,6-trien-3-ol
IUPAC Name: (4E)-3,7-dimethylocta-1,4,6-trien-3-ol
SYSTEMATIC NAME: (4E)-3,7-dimethylocta-1,4,6-trien-3-ol
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC(=C/C=C/C(C)(C=C)O)C
Structure:
CAS RN: 83657-19-6
CAS Name: (E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
OPENEYE Name: (E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
IUPAC Name: (E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SYSTEMATIC NAME: (E,3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
MOLECULAR FORMULA: C15H17Cl2N3O
MOLECULAR WEIGHT: 326.22098
SMILES: CC(C)(C)[C@@H](/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O
Structure:
CAS RN: 83657-18-5
CAS Name: (E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
OPENEYE Name: (E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
IUPAC Name: (E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SYSTEMATIC NAME: (E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
MOLECULAR FORMULA: C15H17Cl2N3O
MOLECULAR WEIGHT: 326.22098
SMILES: CC(C)(C)[C@H](/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O
Structure:
CAS RN: 77349-57-6
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
OPENEYE Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (2R,3R,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C21H32O15
MOLECULAR WEIGHT: 524.46978
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O.C1=CC(=C(C=C1/C=C/C(=O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
Structure:
CAS RN: 151106-12-6
CAS Name: (E,3S,5R)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxy-6-heptenoic acid methyl ester
OPENEYE Name: methyl (E,3S,5R)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-isopropyl-pyrrol-1-yl]-3,5-dihydroxy-hept-6-enoate
IUPAC Name: methyl (E,3S,5R)-7-[4-bromo-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyhept-6-enoate
SYSTEMATIC NAME: methyl (E,3S,5R)-7-[4-bromanyl-2,3-bis(4-fluorophenyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)hept-6-enoate
MOLECULAR FORMULA: C27H28BrF2NO4
MOLECULAR WEIGHT: 548.416326
SMILES: CC(C)C1=C(C(=C(N1/C=C/[C@@H](C[C@@H](CC(=O)OC)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)Br
Structure:
CAS RN: 156663-50-2
CAS Name: (1R,2E,10E,12S,13S)-12-hydroxy-7-methyl-15-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
OPENEYE Name: (1R,2E,10E,12S,13S)-12-hydroxy-7-methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
IUPAC Name: (1R,2E,10E,12S,13S)-12-hydroxy-7-methyl-15-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
SYSTEMATIC NAME: (1R,2E,10E,12S,13S)-15-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-12-oxidanyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
MOLECULAR FORMULA: C22H34O9
MOLECULAR WEIGHT: 442.49996
SMILES: CC1CCC/C=C/[C@H]2CC(C[C@@H]2[C@H](/C=C/C(=O)O1)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 157153-38-3
CAS Name: (2R,3R,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-4,6,8-triene-1,2,3-triol
OPENEYE Name: (2R,3R,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,2,3-triol
IUPAC Name: (2R,3R,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,2,3-triol
SYSTEMATIC NAME: (2R,3R,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-triene-1,2,3-triol
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/[C@](C)([C@@H](CO)O)O)/C
Structure:
CAS RN: 36861-47-9
CAS Name: (2Z)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (3Z)-1,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
IUPAC Name: (2Z)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (2Z)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C18H22O
MOLECULAR WEIGHT: 254.36668
SMILES: CC1=CC=C(C=C1)/C=C\2/C3CCC(C2=O)(C3(C)C)C
Structure:
CAS RN: 156586-95-7
CAS Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-phenyl-3H-benzimidazole-5-sulfonic acid; (2Z)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]-3-bicyclo[2.2.1]heptanone
OPENEYE Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-phenyl-3H-benzimidazole-5-sulfonic acid; (3Z)-1,7,7-trimethyl-3-(p-tolylmethylene)norbornan-2-one
IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-phenyl-3H-benzimidazole-5-sulfonic acid; (2Z)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-phenyl-3H-benzimidazole-5-sulfonic acid; (2Z)-4,7,7-trimethyl-2-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C51H54N2O7S
MOLECULAR WEIGHT: 839.04866
SMILES: CC1=CC=C(C=C1)/C=C\2/C3CCC(C2=O)(C3(C)C)C.CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC.C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O
Structure:
CAS RN: 110101-92-3
CAS Name: acetic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dime
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-m
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-ox
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-diacetyloxy-4,6-dimethyl-oxan-2-yl]oxy-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxidany
MOLECULAR FORMULA: C49H80N2O17
MOLECULAR WEIGHT: 969.1627
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)OC(=O)C)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 83286-21-9
CAS Name: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E)-7-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
OPENEYE Name: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E)-6-hydroxy-1,5-dimethyl-hex-1-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
IUPAC Name: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(E)-7-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
SYSTEMATIC NAME: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(E)-6-methyl-7-oxidanyl-hept-2-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
MOLECULAR FORMULA: C30H52O3
MOLECULAR WEIGHT: 460.73208
SMILES: CC(CC/C=C(\C)/[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)CO
Structure:
CAS RN: 24916-50-5
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 8025-81-8
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 13430-00-7
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 13441-34-4
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 1403-57-2
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 1405-25-0
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 2517-38-6
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 50762-61-3
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 67262-35-5
CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-[[(2R,5S,6S)-5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-4-hydroxy-5-methoxy-9,16-dimeth
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4
IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-o
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4-oxid
MOLECULAR FORMULA: C43H74N2O14
MOLECULAR WEIGHT: 843.05266
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@@H](O4)C)N(C)C
Structure:
CAS RN: 83204-48-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H52O7
MOLECULAR WEIGHT: 572.77248
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C(/[C@@]4(C[C@@H](C(=C[C@H]4C(=O)O3)C)OC)O)\CO)C)\C)O[C@@H]1C(C)C
Structure:
CAS RN: 83177-49-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H51NO9
MOLECULAR WEIGHT: 665.81284
SMILES: CC1CCC2(CC3CC(O2)C/C=C(/CC(/C=C/C=C/4\COC5C4(C(C=C(C5O)COC(=O)C6=CC=CN6)C(=O)O3)O)C)\C)OC1C(C)C
Structure:
CAS RN: 83173-24-4
CAS Name: 2-hydroxybenzoic acid [(6Z,9Z,15E)-heptadeca-6,9,15-trien-4-yl] ester
OPENEYE Name: [(3Z,6Z,12E)-1-propyltetradeca-3,6,12-trienyl] 2-hydroxybenzoate
IUPAC Name: [(6Z,9Z,15E)-heptadeca-6,9,15-trien-4-yl] 2-hydroxybenzoate
SYSTEMATIC NAME: [(6Z,9Z,15E)-heptadeca-6,9,15-trien-4-yl] 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H34O3
MOLECULAR WEIGHT: 370.52496
SMILES: CCCC(C/C=C\C/C=C\CCCC/C=C/C)OC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 83173-23-3
CAS Name: 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
OPENEYE Name: 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
IUPAC Name: 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
SYSTEMATIC NAME: 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
MOLECULAR FORMULA: C23H34O2
MOLECULAR WEIGHT: 342.51486
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
Structure:
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