CAS RN: 37317-89-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 52118-63-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H74N4O5
MOLECULAR WEIGHT: 871.19986
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
Structure:
CAS RN: 11031-38-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H46N4O20
MOLECULAR WEIGHT: 998.89364
SMILES: CC1/C=C(/C(=O)C2=C3C(=CC(=C2O)C)C(=O)C4=C(C3=O)OC(CN4)(C(=O)C(C1OC(=O)C5=C(C(=CC(=N5)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7)OC)O)OC8CC(C(C(O8)C)OC)(C)[N+](=O)[O-])O)O)C)\C
Structure:
CAS RN: 102570-98-9
CAS Name: [(E)-1-(3,4-dimethylphenyl)ethylideneamino]-trimethylammonium iodide
OPENEYE Name: [(E)-1-(3,4-dimethylphenyl)ethylideneamino]-trimethyl-ammonium iodide
IUPAC Name: [(E)-1-(3,4-dimethylphenyl)ethylideneamino]-trimethylazanium iodide
SYSTEMATIC NAME: [(E)-1-(3,4-dimethylphenyl)ethylideneamino]-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H21IN2
MOLECULAR WEIGHT: 332.22371
SMILES: CC1=C(C=C(C=C1)/C(=N/[N+](C)(C)C)/C)C.[I-]
Structure:
CAS RN: 1168-00-9
CAS Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide
OPENEYE Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide
IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide
SYSTEMATIC NAME: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol iodide
MOLECULAR FORMULA: C20H20INO4
MOLECULAR WEIGHT: 465.28157
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[I-]
Structure:
CAS RN: 23360-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H58N4O13S
MOLECULAR WEIGHT: 907.03672
SMILES: CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O
Structure:
CAS RN: 54081-68-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H58N4O13S
MOLECULAR WEIGHT: 907.03672
SMILES: CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O
Structure:
CAS RN: 57986-74-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H58N4O13S
MOLECULAR WEIGHT: 907.03672
SMILES: CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O
Structure:
CAS RN: 56990-57-9
CAS Name: (7E)-8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid
OPENEYE Name: (7E)-8-oxo-7-[(6-sulfo-2-naphthyl)hydrazono]quinoline-5-sulfonic acid
IUPAC Name: (7E)-8-oxo-7-[(6-sulfonaphthalen-2-yl)hydrazinylidene]quinoline-5-sulfonic acid
SYSTEMATIC NAME: (7E)-8-oxidanylidene-7-[(6-sulfonaphthalen-2-yl)hydrazinylidene]quinoline-5-sulfonic acid
MOLECULAR FORMULA: C19H13N3O7S2
MOLECULAR WEIGHT: 459.45242
SMILES: C1=CC2=C(C(=O)/C(=N/NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)/C=C2S(=O)(=O)O)N=C1
Structure:
CAS RN: 21411-53-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H35N3O7
MOLECULAR WEIGHT: 525.5934
SMILES: C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C
Structure:
CAS RN: 21411-53-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H35N3O7
MOLECULAR WEIGHT: 525.5934
SMILES: C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C
Structure:
CAS RN: 3751-87-9
CAS Name: (3S,5R,8R,9S,10R,13R,14S)-14-hydroxy-3-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: (3S,5R,8R,9S,10R,13R,14S)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: (3S,5R,8R,9S,10R,13R,14S)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5R,8R,9S,10R,13R,14S)-3-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H44O8
MOLECULAR WEIGHT: 532.66556
SMILES: CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O
Structure:
CAS RN: 115-53-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Structure:
CAS RN: 2157-57-5
CAS Name: hexane-2,5-dione oxime
OPENEYE Name: hexane-2,5-dione oxime
IUPAC Name: (NE)-N-[(5E)-5-hydroxyiminohexan-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(5E)-5-hydroxyiminohexan-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: C/C(=N\O)/CC/C(=N/O)/C
Structure:
CAS RN: 173693-50-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O8
MOLECULAR WEIGHT: 486.55406
SMILES: C[C@@]12CC[C@H]3[C@]4([C@@]1(CC(=O)O[C@H]2C5=COC=C5)O)C[C@@H]6C(O4)C([C@@H](C3(C6=O)C)CC(=O)OC)(C)C
Structure:
CAS RN: 151923-86-3
CAS Name: 2-(dimethylamino)propanoic acid [(E,3R,4R,5S,6R,9S,10S,11S)-4-acetyloxy-11-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-16,18-dihydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-1-[formyl(methyl)amino]-10-
OPENEYE Name: [(1R,4S,5S,6S)-1-[(E,1S,2R,3R)-2-acetoxy-5-[formyl(methyl)amino]-1,3-dimethyl-pent-4-enyl]-6-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-16,18-dihydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-5-hydroxy
IUPAC Name: [(E,3R,4R,5S,6R,9S,10S,11S)-4-acetyloxy-11-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-16,18-dihydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-1-[formyl(methyl)amino]-10-hydroxy-3,5,9-trimethyldodec-1-e
SYSTEMATIC NAME: [(E,3R,4R,5S,6R,9S,10S,11S)-4-acetyloxy-11-[(2S,4E,6R,8R,10E,12S,15R,16R,17R,18R,20E,22E)-6,12-dimethoxy-8,11,15,17-tetramethyl-16,18-bis(oxidanyl)-24-oxidanylidene-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl]-1-[methanoyl(methyl)amino]-3,5,9-trimethyl-10
MOLECULAR FORMULA: C53H90N2O12
MOLECULAR WEIGHT: 947.2879
SMILES: C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](/C=C/C[C@H](OC(=O)/C=C/C=C/C[C@H]([C@H]([C@@H]1O)C)O)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)C(C)N(C)C)O)OC)C)/C)OC
Structure:
CAS RN: 83560-98-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: CC(=C)[C@@H]1CC2=C(C=C(O2)[C@H]([C@H]3C=C([C@H]4[C@@H]1O4)C(=O)O3)C(=C)C)C(=O)OC
Structure:
CAS RN: 6902-62-1
CAS Name: (E)-2-methyl-2-butenoic acid [(4aR,5S,7R,8aS,9R)-9-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-7-yl] ester
OPENEYE Name: [(4aR,5S,7R,8aS,9R)-9-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f]benzofuran-7-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(4aR,5S,7R,8aS,9R)-9-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4aR,5S,7R,8aS,9R)-3,4a,5-trimethyl-9-oxidanyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-7-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]([C@]2(CC3=C([C@@H]([C@H]2C1)O)OC=C3C)C)C
Structure:
CAS RN: 65160-20-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H20O8
MOLECULAR WEIGHT: 424.4001
SMILES: CC(=C)C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(O3)C(OC5=CC(=C(C=C54)OC)OC)O
Structure:
CAS RN: 23820-80-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: C[C@]12[C@@H]([C@@H]([C@@H](C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O)OC)O
Structure:
CAS RN: 38952-67-9
CAS Name: (3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-1-isoindolone
OPENEYE Name: (3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-isoindolin-1-one
IUPAC Name: (3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one
SYSTEMATIC NAME: (3Z)-3-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-isoindol-1-one
MOLECULAR FORMULA: C23H26N2O6
MOLECULAR WEIGHT: 426.46234
SMILES: CN(C)CCC1=CC2=C(C(=C1/C=C\3/C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OC)OCO2
Structure:
CAS RN: 75375-43-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H33NO3
MOLECULAR WEIGHT: 347.49162
SMILES: CCN1C[C@@]2(CCC(C34[C@@H]2CC([C@@H]31)[C@]5(CCC6C[C@@H]4[C@@H]5C6O)O)O)C
Structure:
CAS RN: 54165-75-2
CAS Name: 7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1-benzopyran-2-one
OPENEYE Name: 7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methoxy]chromen-2-one
IUPAC Name: 7-[[(2S,4aS,6S)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
SYSTEMATIC NAME: 7-[[(2S,4aS,6S)-2,5,5,8a-tetramethyl-2,6-bis(oxidanyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
MOLECULAR FORMULA: C24H32O5
MOLECULAR WEIGHT: 400.50788
SMILES: C[C@@]1(CC[C@@H]2C([C@H](CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C)O
Structure:
CAS RN: 6805-34-1
CAS Name: 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-4-one
IUPAC Name: 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-4-one
MOLECULAR FORMULA: C24H30O3
MOLECULAR WEIGHT: 366.4932
SMILES: CC(=CCC/C(=C/CC/C(=C/CC1=C(OC2=CC=CC=C2C1=O)O)/C)/C)C
Structure:
CAS RN: 142451-48-7
CAS Name: 2-[[6-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[(E)-2-hydroxy-1-[(E)-5-hydroxypent-1-enyl]non-7-en-3,5-diynoxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[[6-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[[6-[(4E,12E)-1,7-bis(oxidanyl)tetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C26H38O13
MOLECULAR WEIGHT: 558.57212
SMILES: C/C=C/C#CC#CC(C(/C=C/CCCO)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 140670-84-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: C=C1CCC23CC(CC[C@@H]2[C@@]14C[C@H](OC4=O)C5=COC=C5)OC3=O
Structure:
CAS RN: 138950-37-5
CAS Name: (4S,8R,10R)-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[(3R)-5-(2-methylprop-1-enyl)-3-oxolanyl]-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthrene-3,7-dione
OPENEYE Name: (4S,8R,10R)-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[(3R)-5-(2-methylprop-1-enyl)tetrahydrofuran-3-yl]-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthrene-3,7-dione
IUPAC Name: (4S,8R,10R)-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[(3R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthrene-3,7-dione
SYSTEMATIC NAME: (4S,8R,10R)-4-(hydroxymethyl)-4,8,10,13-tetramethyl-17-[(3R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthrene-3,7-dione
MOLECULAR FORMULA: C30H42O4
MOLECULAR WEIGHT: 466.65208
SMILES: CC(=CC1C[C@@H](CO1)C2CC=C3C2(CCC4[C@]3(C(=O)CC5[C@@]4(C=CC(=O)[C@]5(C)CO)C)C)C)C
Structure:
CAS RN: 151276-95-8
CAS Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)-3-oxanyl]amino]-2-oxoethyl]tetradeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-oxo-ethyl]tetradeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-[2-[[2-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxidanylidene-ethyl]tetradeca-2,4-dienamide
MOLECULAR FORMULA: C28H43N7O7
MOLECULAR WEIGHT: 589.68372
SMILES: CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O
Structure:
CAS RN: 17306-46-6
CAS Name: 7-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-[6-(hydroxymethyl)-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Structure:
CAS RN: 170894-20-9
CAS Name: (2R,4aS)-2-[[(2R,4aS)-4-[2-(3-furanyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(3-furanyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one
OPENEYE Name: (2R,4aS)-2-[(2R,4aS)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-decalin-2-yl]oxy-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one
IUPAC Name: (2R,4aS)-2-[[(2R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one
SYSTEMATIC NAME: (2R,4aS)-2-[[(2R,4aS)-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-4-oxidanyl-1-oxidanylidene-2,3,5,6,7,8a-hexahydronaphthalen-2-yl]oxy]-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C40H56O6
MOLECULAR WEIGHT: 632.86904
SMILES: CC1[C@H](C(=O)C2[C@@](C1(CCC3=COC=C3)O)(CCCC2(C)C)C)O[C@@H]4C(=C([C@]5(CCCC(C5C4=O)(C)C)C)CCC6=COC=C6)C
Structure:
CAS RN: 114899-77-3
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MOLECULAR FORMULA: C39H43N3O11S
MOLECULAR WEIGHT: 761.83722
SMILES: CC1=C(C(=C2C3[C@@H]4[C@H]5C6=C([C@@H](N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
Structure:
CAS RN: 121723-07-7
CAS Name: (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
OPENEYE Name: (10R,13R,16R,19S)-3-(3-chloro-2-hydroxy-propyl)-13-isopropyl-10,11,14-trimethyl-16-sec-butyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
IUPAC Name: (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
SYSTEMATIC NAME: (10R,13R,16R,19S)-16-butan-2-yl-3-(3-chloranyl-2-oxidanyl-propyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
MOLECULAR FORMULA: C29H48ClN5O8
MOLECULAR WEIGHT: 630.17312
SMILES: CCC(C)[C@@H]1C(=O)N([C@@H](C(=O)N([C@@H](C(=O)NCCC(=O)OC(C(=O)N2CCC[C@H]2C(=O)N1)CC(CCl)O)C)C)C(C)C)C
Structure:
CAS RN: 130217-27-5
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MOLECULAR FORMULA: C26H40O10
MOLECULAR WEIGHT: 512.5898
SMILES: C[C@]1(CCCC2([C@@H]1CCC34[C@H]2C5CC(C3)C([C@H]4O)(O5)CO)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O
Structure:
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