CAS RN: 71204-89-2
CAS Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
OPENEYE Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
IUPAC Name: (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
SYSTEMATIC NAME: (3R)-3-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3R,5S)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@H](CC(=O)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: 70622-74-1
CAS Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-2-phenoxy-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitrovinyl]-2-phenoxy-tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-2-phenoxyoxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-methoxy-5-[(E)-2-nitroethenyl]-4,5-bis(oxidanyl)-2-phenoxy-oxan-3-yl]ethanamide
MOLECULAR FORMULA: C17H22N2O9
MOLECULAR WEIGHT: 398.36458
SMILES: CC(=O)N[C@@]1([C@H]([C@]([C@H](O[C@H]1OC2=CC=CC=C2)CO)(/C=C/[N+](=O)[O-])O)O)OC
Structure:
CAS RN: 69779-62-0
CAS Name: (3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (3Z)-3-ethylidene-7-oxidanylidene-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: C/C=C\1/C(N2C(O1)CC2=O)C(=O)O
Structure:
CAS RN: 68982-81-0
CAS Name: [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] dihydrogen phosphate
OPENEYE Name: [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] dihydrogen phosphate
IUPAC Name: [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] dihydrogen phosphate
MOLECULAR FORMULA: C20H35O4P
MOLECULAR WEIGHT: 370.463261
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O)/C)/C)/C)C
Structure:
CAS RN: 68947-34-2
CAS Name: (E)-9-octadecenoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H78O3
MOLECULAR WEIGHT: 667.09902
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)(C)O)C)C
Structure:
CAS RN: 67496-60-0
CAS Name: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid
OPENEYE Name: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid
IUPAC Name: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid
MOLECULAR FORMULA: C20H33NO4
MOLECULAR WEIGHT: 351.48032
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=N2)CCCCC(=O)O)O)O
Structure:
CAS RN: 67008-16-6
CAS Name: (Z)-2-[[(Z)-2-methyl-1-oxobut-2-enoxy]methyl]-2-butenoic acid [(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)allyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
IUPAC Name: [(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
SYSTEMATIC NAME: [(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
MOLECULAR FORMULA: C21H24O7
MOLECULAR WEIGHT: 388.41106
SMILES: C/C=C(/C)\C(=O)OC/C(=C/C)/C(=O)OC/C=C/C1=CC2=C(C(=C1)OC)OCO2
Structure:
CAS RN: 66551-60-8
CAS Name: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxy-5-methoxybenzoic acid
OPENEYE Name: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxy-5-methoxy-benzoic acid
IUPAC Name: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxy-5-methoxybenzoic acid
SYSTEMATIC NAME: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5-methoxy-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C38H56O4
MOLECULAR WEIGHT: 576.84884
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC1=C(C(=CC(=C1)C(=O)O)OC)O)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 65702-93-4
CAS Name: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,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]-16-ethyl-4-hydroxy-15-[[(2R,3R
OPENEYE Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,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-16-ethyl-4
IUPAC Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,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-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,
SYSTEMATIC NAME: 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidany
MOLECULAR FORMULA: C78H121N5O20S
MOLECULAR WEIGHT: 1480.88184
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)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)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(
Structure:
CAS RN: 65659-61-2
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]-4-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyl-oct-1-enyl]cyclopentyl]hept-4-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-4-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-4-enoic acid
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC/C=C\CCC(=O)O)O)O)O
Structure:
CAS RN: 65259-76-9
CAS Name: [(2R,3S,4R,5R)-5-[6-amino-8-[[(E)-2-[(2-chloro-1-oxoethyl)amino]ethenyl]thio]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-[6-amino-8-[(E)-2-[(2-chloroacetyl)amino]vinyl]sulfanyl-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-[6-amino-8-[(E)-2-[(2-chloroacetyl)amino]ethenyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[6-azanyl-8-[(E)-2-(2-chloranylethanoylamino)ethenyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C14H18ClN6O8PS
MOLECULAR WEIGHT: 496.819881
SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)S/C=C/NC(=O)CCl
Structure:
CAS RN: 64938-51-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34O9
MOLECULAR WEIGHT: 514.56416
SMILES: C/C=C(\C)/C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC
Structure:
CAS RN: 64660-84-0
CAS Name: (Z)-9-tetradecenoic acid hexadecyl ester
OPENEYE Name: hexadecyl (Z)-tetradec-9-enoate
IUPAC Name: hexadecyl (Z)-tetradec-9-enoate
SYSTEMATIC NAME: hexadecyl (Z)-tetradec-9-enoate
MOLECULAR FORMULA: C30H58O2
MOLECULAR WEIGHT: 450.78032
SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCC
Structure:
CAS RN: 64164-40-5
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-fluoro-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoranyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H43FO2
MOLECULAR WEIGHT: 418.627523
SMILES: C[C@H](CCCC(C)(C)F)[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: 64079-44-3
CAS Name: (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid methyl ester
OPENEYE Name: methyl (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
IUPAC Name: methyl (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
SYSTEMATIC NAME: methyl (5Z)-5-[(3aR,4S,5R,6aR)-5-oxidanyl-4-[(3S)-3-oxidanyloct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: CCCCC[C@@H](C#C[C@H]1[C@@H](C[C@@H]2[C@@H]1C/C(=C/CCCC(=O)OC)/O2)O)O
Structure:
CAS RN: 63819-59-0
CAS Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhex-4-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H42O
MOLECULAR WEIGHT: 382.62178
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 63317-99-7
CAS Name: (5E,9E)-hexadeca-5,9-dienoic acid
OPENEYE Name: (5E,9E)-hexadeca-5,9-dienoic acid
IUPAC Name: (5E,9E)-hexadeca-5,9-dienoic acid
SYSTEMATIC NAME: (5E,9E)-hexadeca-5,9-dienoic acid
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: CCCCCC/C=C/CC/C=C/CCCC(=O)O
Structure:
CAS RN: 62151-21-7
CAS Name: (1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxo-heptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentanecarboxylate
IUPAC Name: ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,5R)-1-(7-ethoxy-3-methyl-7-oxidanylidene-heptyl)-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentane-1-carboxylate
MOLECULAR FORMULA: C26H44O6
MOLECULAR WEIGHT: 452.62396
SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@]1(CCC(C)CCCC(=O)OCC)C(=O)OCC)O
Structure:
CAS RN: 60758-73-8
CAS Name: (E)-15-tetracosenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-tetracos-15-enoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-tetracos-15-enoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-tetracos-15-enoate
MOLECULAR FORMULA: C51H90O2
MOLECULAR WEIGHT: 735.2591
SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 59862-14-5
CAS Name: (E)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenethioic acid S-[2-[[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] este
OPENEYE Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enethioate
IUPAC Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate
SYSTEMATIC NAME: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-[3-methoxy-4,5-bis(oxidanyl)phenyl]prop-2-enethioate
MOLECULAR FORMULA: C31H44N7O20P3S
MOLECULAR WEIGHT: 959.702243
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)O)O
Structure:
CAS RN: 59232-88-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H48N2O12S
MOLECULAR WEIGHT: 768.86962
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2SC(=N5)CO)O)\C
Structure:
CAS RN: 59209-78-8
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltic; [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C69H96CoN18O14P
MOLECULAR WEIGHT: 1491.519701
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]CN1C=NC2=C1N=CN=C2N.[Co+3]
Structure:
CAS RN: 58688-54-3
CAS Name: (8Z,11Z,14Z)-eicosa-8,11,14-trien-5-ynoic acid
OPENEYE Name: (8Z,11Z,14Z)-icosa-8,11,14-trien-5-ynoic acid
IUPAC Name: (8Z,11Z,14Z)-icosa-8,11,14-trien-5-ynoic acid
SYSTEMATIC NAME: (8Z,11Z,14Z)-icosa-8,11,14-trien-5-ynoic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CCCCC/C=C\C/C=C\C/C=C\CC#CCCCC(=O)O
Structure:
CAS RN: 58682-86-3
CAS Name: 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester
OPENEYE Name: methyl 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]heptanoate
IUPAC Name: methyl 7-[(1R,2S)-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate
SYSTEMATIC NAME: methyl 7-[(1R,2S)-2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]heptanoate
MOLECULAR FORMULA: C22H36O4
MOLECULAR WEIGHT: 364.51884
SMILES: CCCCC(C)(C/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O
Structure:
CAS RN: 58050-56-9
CAS Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R)-4-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethyl-5-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C28H44O2
MOLECULAR WEIGHT: 412.64776
SMILES: C[C@H](/C=C/C(C)(C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Structure:
CAS RN: 57944-39-5
CAS Name: (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-7-nonenoic acid
OPENEYE Name: (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
IUPAC Name: (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
SYSTEMATIC NAME: (Z)-9-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]non-7-enoic acid
MOLECULAR FORMULA: C22H38O5
MOLECULAR WEIGHT: 382.53412
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCCCC(=O)O)O)O)O
Structure:
CAS RN: 57931-23-4
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]-4-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]hept-4-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-4-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-4-enoic acid
MOLECULAR FORMULA: C22H38O5
MOLECULAR WEIGHT: 382.53412
SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC/C=C\CCC(=O)O)O)O)O
Structure:
CAS RN: 57930-99-1
CAS Name: 7-[(1R,2R,3R)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2R,3R)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R,2R,3R)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R,2R,3R)-2-[(E,3S)-3,8-bis(oxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: C1[C@H]([C@@H]([C@H](C1=O)CCCCCCC(=O)O)/C=C/[C@H](CCCCCO)O)O
Structure:
CAS RN: 57803-96-0
CAS Name: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexyl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexyl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C34H52O7
MOLECULAR WEIGHT: 572.77248
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C
Structure:
CAS RN: 56643-93-7
CAS Name: 1-[(E)-3-phenylprop-2-enyl]imidazole
OPENEYE Name: 1-[(E)-cinnamyl]imidazole
IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]imidazole
SYSTEMATIC NAME: 1-[(E)-3-phenylprop-2-enyl]imidazole
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1=CC=C(C=C1)/C=C/CN2C=CN=C2
Structure:
CAS RN: 56401-66-2
CAS Name: 4-decylbenzenesulfonic acid [(Z)-octadec-9-enyl] ester
OPENEYE Name: [(Z)-octadec-9-enyl] 4-decylbenzenesulfonate
IUPAC Name: [(Z)-octadec-9-enyl] 4-decylbenzenesulfonate
SYSTEMATIC NAME: [(Z)-octadec-9-enyl] 4-decylbenzenesulfonate
MOLECULAR FORMULA: C34H60O3S
MOLECULAR WEIGHT: 548.9034
SMILES: CCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 56391-76-5
CAS Name: dicalcium; (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; 2-hydroxypropanoate;
OPENEYE Name: dicalcium; (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; 2-hydroxypropanoate; (
IUPAC Name: dicalcium; (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; 2-hydroxypropanoat
SYSTEMATIC NAME: dicalcium; (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol; (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 2-oxidany
MOLECULAR FORMULA: C52H87Ca2O31P
MOLECULAR WEIGHT: 1319.358341
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C.CC(C(=O)[O-])O.CC(C(=O)[O-])O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.OP(=O)(O)O.
Structure:
CAS RN: 56050-11-4
CAS Name: (2S,3S,4S,5R,6S)-6-[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[(E)-3-chloro-1-ethyl-1-ethynyl-allyloxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[(E)-1-chloranyl-3-ethyl-pent-1-en-4-yn-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C13H17ClO7
MOLECULAR WEIGHT: 320.72288
SMILES: CCC(/C=C/Cl)(C#C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Structure:
CAS RN: 88053-05-8
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-propen-1-one
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C20H25N3O4
MOLECULAR WEIGHT: 371.4302
SMILES: C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 28598-08-5
CAS Name: (E)-1-(1-azocanyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C19H27NO4
MOLECULAR WEIGHT: 333.42198
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCCCC2
Structure:
CAS RN: 1679-75-0
CAS Name: (E)-2,3-diphenyl-2-propenoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl (E)-2,3-diphenylprop-2-enoate
IUPAC Name: 2-(diethylamino)ethyl (E)-2,3-diphenylprop-2-enoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl (E)-2,3-diphenylprop-2-enoate
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CCN(CC)CCOC(=O)/C(=C/C1=CC=CC=C1)/C2=CC=CC=C2
Structure:
CAS RN: 66984-59-6
CAS Name: 4-[(E)-3-[4-(carboxymethoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-3-[4-(carboxymethoxy)phenyl]-3-oxo-prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-3-[4-(carboxymethoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-3-[4-(2-hydroxy-2-oxoethyloxy)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C18H14O6
MOLECULAR WEIGHT: 326.30016
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)O)C(=O)O
Structure:
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