CAS RN: 151519-02-7
CAS Name: (2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-2,3-dihydropyran-6-one
OPENEYE Name: (2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethyl-non-7-enyl]-2,3-dihydropyran-6-one
IUPAC Name: (2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: (2R,3R)-3-ethyl-2-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C19H32O4
MOLECULAR WEIGHT: 324.45498
SMILES: CC[C@@H]1C=CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O
Structure:
CAS RN: 151392-38-0
CAS Name: (7E,9E,11Z,14Z)-5-oxoeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (7E,9E,11Z,14Z)-5-oxoicosa-7,9,11,14-tetraenoic acid
IUPAC Name: (7E,9E,11Z,14Z)-5-oxoicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (7E,9E,11Z,14Z)-5-oxidanylideneicosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\CC(=O)CCCC(=O)O
Structure:
CAS RN: 101043-35-0
CAS Name: 8-[(4-hydroxyphenyl)methyl]-18-[(1E,3Z)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-15-[2-(methylthio)ethyl]-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 8-[(4-hydroxyphenyl)methyl]-18-[(1E,3Z)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-15-(2-methylsulfanylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: 8-[(4-hydroxyphenyl)methyl]-18-[(1E,3Z)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylsulfanylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 8-[(4-hydroxyphenyl)methyl]-18-[(1E,3Z)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylsulfanylethyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic
MOLECULAR FORMULA: C51H69N7O13S
MOLECULAR WEIGHT: 1020.19766
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC2=CC=C(C=C2)O)C(=O)O)C)CCSC)/C=C/C(=C\C(C)C(CC3=CC=CC=C3)OC)/C
Structure:
CAS RN: 150999-05-6
CAS Name: (3E,5E,7S,8S,10E,13E,15E,19S)-8-[[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylamino)-2-oxanyl]oxy]-7,11,13,19-tetramethyl-1-azacycloeicosa-3,5,10,13,15-pentaen-2-one
OPENEYE Name: (3E,5E,7S,8S,10E,13E,15E,19S)-8-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylamino)tetrahydropyran-2-yl]oxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
IUPAC Name: (3E,5E,7S,8S,10E,13E,15E,19S)-8-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-7,11,13,19-tetramethyl-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
SYSTEMATIC NAME: (3E,5E,7S,8S,10E,13E,15E,19S)-7,11,13,19-tetramethyl-8-[(2R,4S,5S,6R)-6-methyl-5-(methylamino)-4-oxidanyl-oxan-2-yl]oxy-1-azacycloicosa-3,5,10,13,15-pentaen-2-one
MOLECULAR FORMULA: C30H48N2O4
MOLECULAR WEIGHT: 500.71312
SMILES: C[C@H]1CC/C=C/C=C(/C/C(=C/C[C@@H]([C@H](/C=C/C=C/C(=O)NC1)C)O[C@H]2C[C@@H]([C@@H]([C@H](O2)C)NC)O)/C)\C
Structure:
CAS RN: 150547-38-9
CAS Name: (E)-4-(3-acetyl-4,5,7,10-tetrahydroxy-2-anthracenyl)-3-hydroxy-3-butenoic acid
OPENEYE Name: (E)-4-(3-acetyl-4,5,7,10-tetrahydroxy-2-anthryl)-3-hydroxy-but-3-enoic acid
IUPAC Name: (E)-4-(3-acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-hydroxybut-3-enoic acid
SYSTEMATIC NAME: (E)-4-[3-ethanoyl-4,5,7,10-tetrakis(oxidanyl)anthracen-2-yl]-3-oxidanyl-but-3-enoic acid
MOLECULAR FORMULA: C20H16O8
MOLECULAR WEIGHT: 384.33624
SMILES: CC(=O)C1=C(C2=C(C3=C(C=C(C=C3C=C2C=C1/C=C(\CC(=O)O)/O)O)O)O)O
Structure:
CAS RN: 100992-40-3
CAS Name: (5Z)-5-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenyl-1-propanol
OPENEYE Name: (5Z)-5-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
IUPAC Name: (5Z)-5-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: (5Z)-5-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-oxidanyl-prop-1-enyl]-5-oxidanyl-3-oxidanylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C30H43NO7
MOLECULAR WEIGHT: 529.66492
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.C1CCC(C1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2C(=O)/C(=C/CCCC(=O)O)/O3)O)O
Structure:
CAS RN: 149639-79-2
CAS Name: (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
OPENEYE Name: (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
IUPAC Name: (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5Z)-5-[(3aS,4S,5R,6aS)-4-(2-cyclohexylethynyl)-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: C1CCC(CC1)C#C[C@H]2[C@@H](C[C@H]3[C@@H]2C/C(=C\CCCC(=O)O)/C3)O
Structure:
CAS RN: 149172-65-6
CAS Name: acetic acid [(Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl] ester
OPENEYE Name: [(Z)-3-oxo-3-phenyl-1-(trifluoromethyl)prop-1-enyl] acetate
IUPAC Name: [(Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl] acetate
SYSTEMATIC NAME: [(Z)-1,1,1-tris(fluoranyl)-4-oxidanylidene-4-phenyl-but-2-en-2-yl] ethanoate
MOLECULAR FORMULA: C12H9F3O3
MOLECULAR WEIGHT: 258.19327
SMILES: CC(=O)O/C(=C\C(=O)C1=CC=CC=C1)/C(F)(F)F
Structure:
CAS RN: 149172-66-7
CAS Name: 4-(methylthio)benzoic acid [(E)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl] ester
OPENEYE Name: [(E)-3-oxo-3-phenyl-1-(trifluoromethyl)prop-1-enyl] 4-methylsulfanylbenzoate
IUPAC Name: [(E)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-yl] 4-methylsulfanylbenzoate
SYSTEMATIC NAME: [(E)-1,1,1-tris(fluoranyl)-4-oxidanylidene-4-phenyl-but-2-en-2-yl] 4-methylsulfanylbenzoate
MOLECULAR FORMULA: C18H13F3O3S
MOLECULAR WEIGHT: 366.35423
SMILES: CSC1=CC=C(C=C1)C(=O)O/C(=C/C(=O)C2=CC=CC=C2)/C(F)(F)F
Structure:
CAS RN: 100896-35-3
CAS Name: (5E,8R,9Z,11Z,14Z)-8-hydroperoxyeicosa-5,9,11,14-tetraenoic acid
OPENEYE Name: (5E,8R,9Z,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid
IUPAC Name: (5E,8R,9Z,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8R,9Z,11Z,14Z)-8-(dioxidanyl)icosa-5,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCC/C=C\C/C=C\C=C/[C@@H](C/C=C/CCCC(=O)O)OO
Structure:
CAS RN: 100662-00-8
CAS Name: 2-[(2-methyl-1-oxobutyl)amino]propanoic acid [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
OPENEYE Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(2-methylbutanoylamino)propanoate
IUPAC Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(2-methylbutanoylamino)propanoate
SYSTEMATIC NAME: [(4E,10Z,12E,14E)-16-methoxy-5,7-dimethyl-6,22-bis(oxidanyl)-18-oxidanylidene-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(2-methylbutanoylamino)propanoate
MOLECULAR FORMULA: C34H48N2O7
MOLECULAR WEIGHT: 596.75412
SMILES: CCC(C)C(=O)NC(C)C(=O)OC1C/C=C\C=C\C=C\C(CC(=O)NC2=CC(=CC(=C2)CC/C=C(/C(C1C)O)\C)O)OC
Structure:
CAS RN: 100662-01-9
CAS Name: 2-[(2-methyl-1-oxobutyl)amino]propanoic acid [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
OPENEYE Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(2-methylbutanoylamino)propanoate
IUPAC Name: [(4E,10Z,12E,14E)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(2-methylbutanoylamino)propanoate
SYSTEMATIC NAME: [(4E,10Z,12E,14E)-16-methoxy-5,7-dimethyl-6,22-bis(oxidanyl)-18-oxidanylidene-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(2-methylbutanoylamino)propanoate
MOLECULAR FORMULA: C34H48N2O7
MOLECULAR WEIGHT: 596.75412
SMILES: CCC(C)C(=O)NC(C)C(=O)OC1C/C=C\C=C\C=C\C(CC(=O)NC2=CC(=CC(=C2)CC/C=C(/C(C1C)O)\C)O)OC
Structure:
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