CAS RN: 6626-16-0
CAS Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
OPENEYE Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
IUPAC Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
SYSTEMATIC NAME: (1S,4aS,7R,7aS)-7-(hydroxymethyl)-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
MOLECULAR FORMULA: C16H22O11
MOLECULAR WEIGHT: 390.33928
SMILES: C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(CO)O
Structure:
CAS RN: 5945-50-6
CAS Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
OPENEYE Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
IUPAC Name: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
SYSTEMATIC NAME: (1S,4aS,7R,7aS)-7-(hydroxymethyl)-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
MOLECULAR FORMULA: C16H22O11
MOLECULAR WEIGHT: 390.33928
SMILES: C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(CO)O
Structure:
CAS RN: 32294-58-9
CAS Name: 6-methoxy-4-(phenylmethyl)-7-isoquinolinol
OPENEYE Name: 4-benzyl-6-methoxy-isoquinolin-7-ol
IUPAC Name: 4-benzyl-6-methoxyisoquinolin-7-ol
SYSTEMATIC NAME: 6-methoxy-4-(phenylmethyl)isoquinolin-7-ol
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: COC1=C(C=C2C=NC=C(C2=C1)CC3=CC=CC=C3)O
Structure:
CAS RN: 21170-34-3
CAS Name: 4-bromobenzenesulfonic acid [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 4-bromobenzenesulfonate
IUPAC Name: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-bromobenzenesulfonate
SYSTEMATIC NAME: [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 4-bromanylbenzenesulfonate
MOLECULAR FORMULA: C27H33BrO5S
MOLECULAR WEIGHT: 549.51692
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC(=O)CC[C@]35C
Structure:
CAS RN: 109875-13-0
CAS Name: (3S,5R,8R,9S,10S,13R,14S,17S)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
OPENEYE Name: (3S,5R,8R,9S,10S,13R,14S,17S)-3-acetoxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
IUPAC Name: (3S,5R,8R,9S,10S,13R,14S,17S)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
SYSTEMATIC NAME: (3S,5R,8R,9S,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
MOLECULAR FORMULA: C22H34O5
MOLECULAR WEIGHT: 378.50236
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C(=O)O)O)C)C
Structure:
CAS RN: 32940-15-1
CAS Name: 5-methoxy-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 5-methoxytetralin-2-one
IUPAC Name: 5-methoxy-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 5-methoxy-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: COC1=CC=CC2=C1CCC(=O)C2
Structure:
CAS RN: 10242-01-0
CAS Name: 5-methoxy-1H-indole-3-carboxylic acid
OPENEYE Name: 5-methoxy-1H-indole-3-carboxylic acid
IUPAC Name: 5-methoxy-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: COC1=CC2=C(C=C1)NC=C2C(=O)O
Structure:
CAS RN: 10241-97-1
CAS Name: 5-methyl-1H-indole-2-carboxylic acid
OPENEYE Name: 5-methyl-1H-indole-2-carboxylic acid
IUPAC Name: 5-methyl-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5-methyl-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC1=CC2=C(C=C1)NC(=C2)C(=O)O
Structure:
CAS RN: 102596-84-9
CAS Name: 5-methyl-1H-indole-2-carboxylic acid
OPENEYE Name: 5-methyl-1H-indole-2-carboxylic acid
IUPAC Name: 5-methyl-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5-methyl-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC1=CC2=C(C=C1)NC(=C2)C(=O)O
Structure:
CAS RN: 52562-50-2
CAS Name: 5-methyl-1H-indole-3-carboxaldehyde
OPENEYE Name: 5-methyl-1H-indole-3-carbaldehyde
IUPAC Name: 5-methyl-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 5-methyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC2=C(C=C1)NC=C2C=O
Structure:
CAS RN: 22390-52-9
CAS Name: (1R,2R)-1-methylcyclohexane-1,2-diol
OPENEYE Name: (1R,2R)-1-methylcyclohexane-1,2-diol
IUPAC Name: (1R,2R)-1-methylcyclohexane-1,2-diol
SYSTEMATIC NAME: (1R,2R)-1-methylcyclohexane-1,2-diol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: C[C@]1(CCCC[C@H]1O)O
Structure:
CAS RN: 19534-08-8
CAS Name: (1R,2R)-1-methylcyclohexane-1,2-diol
OPENEYE Name: (1R,2R)-1-methylcyclohexane-1,2-diol
IUPAC Name: (1R,2R)-1-methylcyclohexane-1,2-diol
SYSTEMATIC NAME: (1R,2R)-1-methylcyclohexane-1,2-diol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: C[C@]1(CCCC[C@H]1O)O
Structure:
CAS RN: 3534-74-5
CAS Name: 1-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]-2-naphthalenol
OPENEYE Name: 1-[[(3,5-dibromo-2-hydroxy-phenyl)methyl-methyl-amino]methyl]naphthalen-2-ol
IUPAC Name: 1-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
SYSTEMATIC NAME: 1-[[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methyl-methyl-amino]methyl]naphthalen-2-ol
MOLECULAR FORMULA: C19H17Br2NO2
MOLECULAR WEIGHT: 451.15178
SMILES: CN(CC1=CC(=CC(=C1O)Br)Br)CC2=C(C=CC3=CC=CC=C32)O
Structure:
CAS RN: 58671-21-9
CAS Name: 3,9-bis(phenylmethyl)-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
OPENEYE Name: 3,9-dibenzyl-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
IUPAC Name: 3,9-dibenzyl-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
SYSTEMATIC NAME: 3,9-bis(phenylmethyl)-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
MOLECULAR FORMULA: C28H26N2O2
MOLECULAR WEIGHT: 422.51824
SMILES: C1C2=C(C=CC3=C2C=CC4=C3CN(CO4)CC5=CC=CC=C5)OCN1CC6=CC=CC=C6
Structure:
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