CAS RN: 102339-98-0
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S,3R,4R)-5-[[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(2R,3R,4R)-1,3,4-trihydroxy-5-oxopentan-2-yl]oxy-4-oxanyl]oxy]-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2S,3R,4R)-5-[(2S,3R,4S,5R)-2-[(1R,2R,3R)-2,3-dihydroxy-1-(hydroxymethyl)-4-oxo-butoxy]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2S,3R,4R)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(2R,3R,4R)-1,3,4-trihydroxy-5-oxopentan-2-yl]oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4R)-5-[(2S,3R,4S,5R)-3,5-bis(oxidanyl)-2-[(2R,3R,4R)-1,3,4-tris(oxidanyl)-5-oxidanylidene-pentan-2-yl]oxy-oxan-4-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C25H34O16
MOLECULAR WEIGHT: 590.52786
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H]2[C@@H]([C@H](C(O2)O[C@H]3[C@@H](CO[C@H]([C@@H]3O)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O)O
Structure:
CAS RN: 102281-52-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H45NO10
MOLECULAR WEIGHT: 687.7753
SMILES: C[C@@H]1/C=C\C=C\C=C\C(=O)NC2=C(C3=CC(=C(C(=C3C(=O)C2=O)C(=O)C(=C[C@@H]([C@H]([C@H](/C=C/[C@H](C/C=C(/C(=O)C[C@@H]1O)\C)O)C)O)C)C)O)C)O
Structure:
CAS RN: 102254-69-3
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [5-[[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxy-4-oxanyl]oxy]-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-[2-[2,3-dihydroxy-1-(hydroxymethyl)-4-oxo-butoxy]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [5-[3,5-bis(oxidanyl)-2-[1,3,4-tris(oxidanyl)-5-oxidanylidene-pentan-2-yl]oxy-oxan-4-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C24H32O15
MOLECULAR WEIGHT: 560.50188
SMILES: C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)OC2C(C(C(O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)O)O
Structure:
CAS RN: 102228-99-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H52N2O12S
MOLECULAR WEIGHT: 832.95488
SMILES: C[C@H]1/C=C/C=C\C=C\C(=O)NC2=C(C(=O)C3=C(C(=C(C=C3C2=O)C)O)C(=O)/C(=C\[C@@H]([C@H]([C@H](/C=C/[C@H](C/C=C(/C(=O)C[C@@H]1O)\C)O)C)O)C)/C)SC[C@@H](C(=O)O)NC(=O)C
Structure:
CAS RN: 102130-27-8
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-3-methyl-5-phenylpent-1-enyl]cyclopentyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-3-methyl-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-3-methyl-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-methyl-3-oxidanyl-5-phenyl-pent-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: CC(CCC1=CC=CC=C1)(/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)OC)O)O)O
Structure:
CAS RN: 50518-15-5
CAS Name: (2E,6E)-7-ethyl-9-(3-ethyl-3-methyl-2-oxiranyl)-3-methylnona-2,6-dienoic acid
OPENEYE Name: (2E,6E)-7-ethyl-9-(3-ethyl-3-methyl-oxiran-2-yl)-3-methyl-nona-2,6-dienoic acid
IUPAC Name: (2E,6E)-7-ethyl-9-(3-ethyl-3-methyloxiran-2-yl)-3-methylnona-2,6-dienoic acid
SYSTEMATIC NAME: (2E,6E)-7-ethyl-9-(3-ethyl-3-methyl-oxiran-2-yl)-3-methyl-nona-2,6-dienoic acid
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CC/C(=C\CC/C(=C/C(=O)O)/C)/CCC1C(O1)(C)CC
Structure:
CAS RN: 178895-25-5
CAS Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-oxoprop-2-enoxy]propanoic acid
OPENEYE Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-enoyl]oxy-propanoic acid
IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
SYSTEMATIC NAME: (2R)-3-[3,4-bis(oxidanyl)phenyl]-2-[(E)-3-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]prop-2-enoyl]oxy-propanoic acid
MOLECULAR FORMULA: C24H26O13
MOLECULAR WEIGHT: 522.45544
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Structure:
CAS RN: 102042-18-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H50O8
MOLECULAR WEIGHT: 598.7667
SMILES: C/C=C(\C)/[C@@H]1[C@H]([C@H](CC2(O1)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(C=C([C@H]5OC)C)C(=O)O3)O)C)\C)O)C
Structure:
CAS RN: 102042-12-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H54O8
MOLECULAR WEIGHT: 626.81986
SMILES: C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](CC3(O2)C[C@@H]([C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)O)OC(=O)C4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)OC)C)/C
Structure:
CAS RN: 102042-09-1
CAS Name: (4S,5E,5'S,6'S,7E,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,26S)-4-ethyl-3,11,12,15,19-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,11,12,14,16,18,20,26-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
OPENEYE Name: (4S,5E,5'S,6'S,7E,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,26S)-4-ethyl-3,11,12,15,19-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,11,12,14,16,18,20,26-nonamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-13,17,23-trione
IUPAC Name: (4S,5E,5'S,6'S,7E,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,26S)-4-ethyl-3,11,12,15,19-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,11,12,14,16,18,20,26-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
SYSTEMATIC NAME: (4S,5E,5'S,6'S,7E,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,26S)-4-ethyl-5',10,11,12,14,16,18,20,26-nonamethyl-3,11,12,15,19-pentakis(oxidanyl)-6'-[(2R)-2-oxidanylpropyl]spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
MOLECULAR FORMULA: C45H74O12
MOLECULAR WEIGHT: 807.06186
SMILES: CC[C@H]1/C=C/C=C/C[C@H]([C@]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)OC2CC(CC1O)OC3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)O)C)C)O)C)(C)O)(C)O)C
Structure:
CAS RN: 102042-08-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48O8
MOLECULAR WEIGHT: 584.74012
SMILES: C/C=C(\C)/[C@@H]1[C@H]([C@H](CC2(O1)CC3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)\C)O)C
Structure:
CAS RN: 101910-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O11
MOLECULAR WEIGHT: 548.57884
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O
Structure:
CAS RN: 101619-11-8
CAS Name: (2E,4E)-N-[2-[4-(diphenylmethyl)oxy-1-piperidinyl]ethyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[2-(4-benzhydryloxy-1-piperidyl)ethyl]-5-(4-hydroxy-3-methoxy-phenyl)penta-2,4-dienamide
IUPAC Name: (2E,4E)-N-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[2-[4-(diphenylmethyl)oxypiperidin-1-yl]ethyl]-5-(3-methoxy-4-oxidanyl-phenyl)penta-2,4-dienamide
MOLECULAR FORMULA: C32H36N2O4
MOLECULAR WEIGHT: 512.63924
SMILES: COC1=C(C=CC(=C1)/C=C/C=C/C(=O)NCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)O
Structure:
CAS RN: 101558-90-1
CAS Name: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(E,2R,6S)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(E,1R,5S)-5,6-dihydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(E,2R,6S)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,6S)-6-methyl-6,7-bis(oxidanyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H42O4
MOLECULAR WEIGHT: 430.61998
SMILES: C[C@H](/C=C/C[C@@](C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 155509-52-7
CAS Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[(Z)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[(Z)-3-iodoallyl]-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[(Z)-3-iodoprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[(Z)-3-iodanylprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C18H21ClINO2
MOLECULAR WEIGHT: 445.72231
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C\I)C[C@@H]1C3=CC=C(C=C3)Cl
Structure:
CAS RN: 155233-30-0
CAS Name: (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydrothiazole
OPENEYE Name: (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydrothiazole
IUPAC Name: (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C23H35NOS
MOLECULAR WEIGHT: 373.5951
SMILES: C[C@H]1CC1C2=N[C@@H](CS2)/C=C\CC/C=C/C=C(\C)/CC[C@H](CC=C)OC
Structure:
CAS RN: 154644-22-1
CAS Name: (2Z)-3,3-dimethyl-1-[3-(3-methyl-3-diazirinyl)propyl]-2-[(E)-3-(1,3,3-trimethyl-2-indol-1-iumyl)prop-2-enylidene]indole chloride
OPENEYE Name: (2Z)-3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indoline chloride
IUPAC Name: (2Z)-3,3-dimethyl-1-[3-(3-methyldiazirin-3-yl)propyl]-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
SYSTEMATIC NAME: (2Z)-3,3-dimethyl-1-[3-(3-methyl-1,2-diazirin-3-yl)propyl]-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
MOLECULAR FORMULA: C29H35ClN4
MOLECULAR WEIGHT: 475.068
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3CCCC5(N=N5)C)(C)C)C)C.[Cl-]
Structure:
CAS RN: 101411-69-2
CAS Name: 5-[4-[(5-acetyl-5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-4-(5-acetyl-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[4-(5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-4-(5-ethanoyl-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C29H36N2O16S
MOLECULAR WEIGHT: 700.66494
SMILES: C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(=O)C)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)\N=C=S
Structure:
CAS RN: 11017-36-0
CAS Name: 5-[4-[(5-acetyl-5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-4-(5-acetyl-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[4-(5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-4-(5-ethanoyl-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C29H36N2O16S
MOLECULAR WEIGHT: 700.66494
SMILES: C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(=O)C)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)\N=C=S
Structure:
CAS RN: 101411-67-0
CAS Name: 5-[4-[[5-(1-acetyloxyethyl)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[4-[5-(1-acetoxyethyl)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-(acetoxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[4-[5-(1-acetyloxyethyl)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[4-[5-(1-acetyloxyethyl)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C31H40N2O17S
MOLECULAR WEIGHT: 744.7175
SMILES: C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)OC(=O)C)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)\N=C=S
Structure:
CAS RN: 152815-51-5
CAS Name: (3E,4E)-3-(phenylmethylene)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
OPENEYE Name: (3E,4E)-3-benzylidene-4-[(3,4,5-trimethoxyphenyl)methylene]pyrrolidine-2,5-dione
IUPAC Name: (3E,4E)-3-benzylidene-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3E,4E)-3-(phenylmethylidene)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=C/C3=CC=CC=C3)\C(=O)NC2=O
Structure:
CAS RN: 65256-31-7
CAS Name: acetic acid [2-hydroxy-6-(1-hydroxyethyl)-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxo-2-pyranyl)hexa-1,3,5-trienyl]-1,5-dimethyl-4,7-dioxabicyclo[3.2.1]octan-8-yl] ester
OPENEYE Name: [2-hydroxy-6-(1-hydroxyethyl)-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxo-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-4,7-dioxabicyclo[3.2.1]octan-8-yl] acetate
IUPAC Name: [2-hydroxy-6-(1-hydroxyethyl)-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-4,7-dioxabicyclo[3.2.1]octan-8-yl] acetate
SYSTEMATIC NAME: [6-(1-hydroxyethyl)-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxidanylidene-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2-oxidanyl-4,7-dioxabicyclo[3.2.1]octan-8-yl] ethanoate
MOLECULAR FORMULA: C25H32O9
MOLECULAR WEIGHT: 476.51618
SMILES: CC1=C(OC(=O)C=C1OC)/C=C/C=C/C=C/C2C(C3(C(C(O2)(C(O3)C(C)O)C)OC(=O)C)C)O
Structure:
CAS RN: 65236-61-5
CAS Name: hexadecanoic acid [3-(1-oxohexadecoxy)-2-[(2E,4E)-1-oxohexa-2,4-dienoxy]propyl] ester
OPENEYE Name: [3-hexadecanoyloxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxy-propyl] hexadecanoate
IUPAC Name: [3-hexadecanoyloxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxypropyl] hexadecanoate
SYSTEMATIC NAME: [3-hexadecanoyloxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxy-propyl] hexadecanoate
MOLECULAR FORMULA: C41H74O6
MOLECULAR WEIGHT: 663.02266
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)/C=C/C=C/C
Structure:
CAS RN: 152040-94-3
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-trihydroxy-5-oxopentoxy]-3-oxolanyl] ester
OPENEYE Name: [(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-trihydroxy-5-oxo-pentoxy]tetrahydrofuran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-trihydroxy-5-oxopentoxy]oxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5S)-5-(hydroxymethyl)-4-oxidanyl-2-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentoxy]oxolan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C20H26O12
MOLECULAR WEIGHT: 458.41324
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H](O[C@H]2OC[C@@H]([C@@H]([C@H](C=O)O)O)O)CO)O)O
Structure:
CAS RN: 101396-17-2
CAS Name: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(E)-(4-nitroanilino)azo]methoxy]oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(E)-(4-nitroanilino)azo]methoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(E)-(4-nitroanilino)diazenyl]methoxy]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(E)-[(4-nitrophenyl)amino]diazenyl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H18N4O8
MOLECULAR WEIGHT: 358.30402
SMILES: C1=CC(=CC=C1N/N=N/CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]
Structure:
CAS RN: 151729-53-2
CAS Name: [(E)-2-(dimethylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
OPENEYE Name: [(E)-2-(dimethylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate
IUPAC Name: [(E)-2-(dimethylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
SYSTEMATIC NAME: [(E)-2-(dimethylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate
MOLECULAR FORMULA: C20H42NO5P
MOLECULAR WEIGHT: 407.524941
SMILES: CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)N(C)C)O
Structure:
CAS RN: 101235-34-1
CAS Name: (E)-9-octadecenoic acid [(2R,3S,4S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (E)-octadec-9-enoate
IUPAC Name: [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (E)-octadec-9-enoate
MOLECULAR FORMULA: C27H45N3O6
MOLECULAR WEIGHT: 507.6627
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O
Structure:
CAS RN: 101190-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H47NO10
MOLECULAR WEIGHT: 701.80188
SMILES: CC1/C=C/C=C\C=C\C(=O)NC2=C(C(=O)C3=C(C(=C(C=C3C2=O)C)O)C(=O)/C(=C\C(C(C(/C=C/C(C/C=C(/C(=O)CC1O)\C)O)C)O)C)/C)OC
Structure:
CAS RN: 101190-61-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H47NO9S
MOLECULAR WEIGHT: 717.86748
SMILES: CC1/C=C/C=C\C=C\C(=O)NC2=C(C(=O)C3=C(C(=C(C=C3C2=O)C)O)C(=O)/C(=C\C(C(C(/C=C/C(C/C=C(/C(=O)CC1O)\C)O)C)O)C)/C)SC
Structure:
CAS RN: 101179-42-4
CAS Name: (E)-4-[(2-nitro-1-imidazolyl)methoxy]-2-buten-1-ol
OPENEYE Name: (E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
IUPAC Name: (E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
SYSTEMATIC NAME: (E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: C1=CN(C(=N1)[N+](=O)[O-])COC/C=C/CO
Structure:
CAS RN: 93679-10-8
CAS Name: (E)-4-[(2-nitro-1-imidazolyl)methoxy]-2-buten-1-ol
OPENEYE Name: (E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
IUPAC Name: (E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
SYSTEMATIC NAME: (E)-4-[(2-nitroimidazol-1-yl)methoxy]but-2-en-1-ol
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: C1=CN(C(=N1)[N+](=O)[O-])COC/C=C/CO
Structure:
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