CAS RN: 34297-84-2
CAS Name: 3-phenylpropanoic acid [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
MOLECULAR FORMULA: C27H32O3
MOLECULAR WEIGHT: 404.54118
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)CCC5=CC=CC=C5
Structure:
CAS RN: 3414-63-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)OCC(=O)[C@]12[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
Structure:
CAS RN: 34105-70-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O7
MOLECULAR WEIGHT: 408.48528
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C([C@@](C4CC(=O)O3)(C)O)OC)O)C)C)OC
Structure:
CAS RN: 28387-43-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O7
MOLECULAR WEIGHT: 408.48528
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C([C@@](C4CC(=O)O3)(C)O)OC)O)C)C)OC
Structure:
CAS RN: 34086-61-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H34O8
MOLECULAR WEIGHT: 450.52196
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C([C@@](C4CC(=O)O3)(C)O)OC)OC(=O)C)C)C)OC
Structure:
CAS RN: 34005-16-8
CAS Name: (2S)-2-[(3R,10S,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-heptenoic acid
OPENEYE Name: (2S)-2-[(3R,10S,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid
IUPAC Name: (2S)-2-[(3R,10S,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
SYSTEMATIC NAME: (2S)-6-methyl-2-[(3R,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: CC(=CCC[C@@H]([C@H]1CC[C@]2([C@]1(CCC3=C2CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C(=O)O)C
Structure:
CAS RN: 28282-27-1
CAS Name: (2S)-2-[(3R,10S,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-heptenoic acid
OPENEYE Name: (2S)-2-[(3R,10S,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid
IUPAC Name: (2S)-2-[(3R,10S,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
SYSTEMATIC NAME: (2S)-6-methyl-2-[(3R,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: CC(=CCC[C@@H]([C@H]1CC[C@]2([C@]1(CCC3=C2CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C(=O)O)C
Structure:
CAS RN: 339-98-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O2
MOLECULAR WEIGHT: 440.70092
SMILES: C[C@@H]1CC(=O)C([C@H]2C1[C@H]3CC[C@@H]4[C@H]5[C@H]6C(CCC5(CC[C@]4([C@@]3(CC2)C)C)CO6)(C)C)(C)C
Structure:
CAS RN: 33995-48-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)OC)OC)OC
Structure:
CAS RN: 3393-72-4
CAS Name: acetic acid [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] ester
OPENEYE Name: [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetoxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
IUPAC Name: [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
SYSTEMATIC NAME: [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxidanylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] ethanoate
MOLECULAR FORMULA: C19H26O6
MOLECULAR WEIGHT: 350.40614
SMILES: C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H](C[C@H]3OC(=O)C)OC(=O)C)C)C(=C)C(=O)O2
Structure:
CAS RN: 83799-26-2
CAS Name: acetic acid [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] ester
OPENEYE Name: [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetoxy-5,8a-dimethyl-1-methylene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
IUPAC Name: [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
SYSTEMATIC NAME: [(3aR,5R,5aS,6S,8R,8aS,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxidanylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] ethanoate
MOLECULAR FORMULA: C19H26O6
MOLECULAR WEIGHT: 350.40614
SMILES: C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H](C[C@H]3OC(=O)C)OC(=O)C)C)C(=C)C(=O)O2
Structure:
CAS RN: 28230-70-8
CAS Name: (1S)-7-hydroxy-6-methoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]one
OPENEYE Name: (1S)-7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
IUPAC Name: (1S)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
SYSTEMATIC NAME: (1S)-6-methoxy-2-methyl-7-oxidanyl-spiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CN1CCC2=CC(=C(C=C2[C@]13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC
Structure:
CAS RN: 4373-35-7
CAS Name: (1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: (1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
IUPAC Name: (1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: (1S,2S)-1,2-bis(oxidanyl)propane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C6H8O8
MOLECULAR WEIGHT: 208.12292
SMILES: C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 116122-36-2
CAS Name: (2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O12
MOLECULAR WEIGHT: 462.36042
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 1329-06-2
CAS Name: (2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O12
MOLECULAR WEIGHT: 462.36042
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 27740-01-8
CAS Name: (2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O12
MOLECULAR WEIGHT: 462.36042
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 32647-60-2
CAS Name: (2S,3S,4S,5R,6S)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-(4-hydroxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O12
MOLECULAR WEIGHT: 462.36042
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 33025-25-1
CAS Name: 2-[[2-(hydroxyamino)-2-oxoethyl]-(2-hydroxyethyl)amino]acetic acid
OPENEYE Name: 2-[[2-(hydroxyamino)-2-oxo-ethyl]-(2-hydroxyethyl)amino]acetic acid
IUPAC Name: 2-[[2-(hydroxyamino)-2-oxoethyl]-(2-hydroxyethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[2-hydroxyethyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]ethanoic acid
MOLECULAR FORMULA: C6H12N2O5
MOLECULAR WEIGHT: 192.16988
SMILES: C(CO)N(CC(=O)NO)CC(=O)O
Structure:
CAS RN: 27368-79-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O8
MOLECULAR WEIGHT: 474.54336
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C[C@@]([C@@H]4CC(=O)O3)(C)C(=O)[C@@H]5CC(=O)OC5)O)C)C)OC
Structure:
CAS RN: 33025-06-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O8
MOLECULAR WEIGHT: 474.54336
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C[C@@]([C@@H]4CC(=O)O3)(C)C(=O)[C@@H]5CC(=O)OC5)O)C)C)OC
Structure:
CAS RN: 27353-48-6
CAS Name: 2-bromo-5H-phenanthridin-6-one
OPENEYE Name: 2-bromo-5H-phenanthridin-6-one
IUPAC Name: 2-bromo-5H-phenanthridin-6-one
SYSTEMATIC NAME: 2-bromanyl-5H-phenanthridin-6-one
MOLECULAR FORMULA: C13H8BrNO
MOLECULAR WEIGHT: 274.11272
SMILES: C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)NC2=O
Structure:
No comments:
Post a Comment