CAS RN: 19186-53-9
CAS Name: 4-methylbenzenesulfonic acid [6-methoxy-3,4,5-tris-(4-methylphenyl)sulfonyloxy-2-oxanyl]methyl ester
OPENEYE Name: [6-methoxy-3,4,5-tris(p-tolylsulfonyloxy)tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [6-methoxy-3,4,5-tris-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [6-methoxy-3,4,5-tris-(4-methylphenyl)sulfonyloxy-oxan-2-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C35H38O14S4
MOLECULAR WEIGHT: 810.92782
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C
Structure:
CAS RN: 4630-62-0
CAS Name: 2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16O6
MOLECULAR WEIGHT: 256.25184
SMILES: C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 59368-14-8
CAS Name: 2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-phenoxy-tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-phenoxy-oxolane-3,4-diol
MOLECULAR FORMULA: C11H14O5
MOLECULAR WEIGHT: 226.22586
SMILES: C1=CC=C(C=C1)OC2C(C(C(O2)CO)O)O
Structure:
CAS RN: 13096-63-4
CAS Name: 5-hydroxy-N,N-dimethyl-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
OPENEYE Name: 2,3,4,6-tetrabenzyloxy-5-hydroxy-N,N-dimethyl-hexanamide
IUPAC Name: 5-hydroxy-N,N-dimethyl-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SYSTEMATIC NAME: N,N-dimethyl-5-oxidanyl-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
MOLECULAR FORMULA: C36H41NO6
MOLECULAR WEIGHT: 583.71384
SMILES: CN(C)C(=O)C(C(C(C(COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 60192-22-5
CAS Name: 2-[(2,4-dinitrophenyl)thio]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-(2,4-dinitrophenyl)sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(2,4-dinitrophenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H14N2O9S
MOLECULAR WEIGHT: 362.31256
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 2788-56-9
CAS Name: 2-(hydroxymethyl)-6-[(4-nitrophenyl)thio]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H15NO7S
MOLECULAR WEIGHT: 317.315
SMILES: C1=CC(=CC=C1[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 4171-72-6
CAS Name: N-[2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[4,5-dibenzyloxy-6-(benzyloxymethyl)-2-hydroxy-tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[2-oxidanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C29H33NO6
MOLECULAR WEIGHT: 491.57542
SMILES: CC(=O)NC1C(C(C(OC1O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 3254-07-7
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[(2,4-dinitrophenyl)thio]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(2,4-dinitrophenyl)sulfanyl-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(2,4-dinitrophenyl)sulfanyloxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(2,4-dinitrophenyl)sulfanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H22N2O13S
MOLECULAR WEIGHT: 530.45928
SMILES: CC(=O)OCC1C(C(C(C(O1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 77870-89-4
CAS Name: 4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
OPENEYE Name: 2,3,5-tribenzyloxy-4-hydroxy-pentanal
IUPAC Name: 4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
SYSTEMATIC NAME: 4-oxidanyl-2,3,5-tris(phenylmethoxy)pentanal
MOLECULAR FORMULA: C26H28O5
MOLECULAR WEIGHT: 420.49752
SMILES: C1=CC=C(C=C1)COCC(C(C(C=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O
Structure:
CAS RN: 13035-51-3
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[(2-methylpropan-2-yl)oxy]-2-oxanyl]methyl ester
OPENEYE Name: (3,4,5-triacetoxy-6-tert-butoxy-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C18H28O10
MOLECULAR WEIGHT: 404.40892
SMILES: CC(=O)OCC1C(C(C(C(O1)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 13639-55-9
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(tert-butylthio)-2-oxanyl]methyl ester
OPENEYE Name: (3,4,5-triacetoxy-6-tert-butylsulfanyl-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-6-tert-butylsulfanyloxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-6-tert-butylsulfanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C18H28O9S
MOLECULAR WEIGHT: 420.47452
SMILES: CC(=O)OCC1C(C(C(C(O1)SC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 471-80-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)O
Structure:
CAS RN: 62446-14-4
CAS Name: 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: 17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C29H52
MOLECULAR WEIGHT: 400.72318
SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)C(C)C
Structure:
CAS RN: 79434-71-2
CAS Name: acetic acid [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [16-acetoxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C31H49NO4
MOLECULAR WEIGHT: 499.72506
SMILES: CC1CCC(=NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC(=O)C)C)C)OC(=O)C
Structure:
CAS RN: 639-96-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(=O)C6)C)C)C)OC1
Structure:
CAS RN: 1693-63-6
CAS Name: acetic acid [2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
OPENEYE Name: [2-(3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
IUPAC Name: [2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: CC(=O)OCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Structure:
CAS RN: 28319-79-1
CAS Name: acetic acid (17-acetyl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: (17-acetyl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
IUPAC Name: (17-acetyl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: (17-ethanoyl-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ethanoate
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: CC(=O)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC(=O)C)C)C
Structure:
CAS RN: 17353-30-9
CAS Name: 1-(3-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethanone
OPENEYE Name: 1-(3-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethanone
IUPAC Name: 1-(3-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethanone
SYSTEMATIC NAME: 1-(10,13-dimethyl-3-oxidanyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethanone
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(C=CC(C4)O)C)C
Structure:
CAS RN: 6424-28-8
CAS Name: acetic acid [2-acetyloxy-2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] ester
OPENEYE Name: [2-acetoxy-2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] acetate
IUPAC Name: [2-acetyloxy-2-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-2-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] ethanoate
MOLECULAR FORMULA: C25H36O6
MOLECULAR WEIGHT: 432.54974
SMILES: CC(=O)OCC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OC(=O)C
Structure:
CAS RN: 26765-64-0
CAS Name: 9,10-bis(chloromethyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
OPENEYE Name: 9,10-bis(chloromethyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
IUPAC Name: 9,10-bis(chloromethyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
SYSTEMATIC NAME: 9,10-bis(chloromethyl)-1,2,3,4,5,6,7,8-octahydrophenanthrene
MOLECULAR FORMULA: C16H20Cl2
MOLECULAR WEIGHT: 283.236
SMILES: C1CCC2=C(C(=C3CCCCC3=C2C1)CCl)CCl
Structure:
CAS RN: 35639-27-1
CAS Name: 2-methoxy-11H-indeno[1,2-b]quinoline
OPENEYE Name: 2-methoxy-11H-indeno[1,2-b]quinoline
IUPAC Name: 2-methoxy-11H-indeno[1,2-b]quinoline
SYSTEMATIC NAME: 2-methoxy-11H-indeno[1,2-b]quinoline
MOLECULAR FORMULA: C17H13NO
MOLECULAR WEIGHT: 247.29122
SMILES: COC1=CC2=C(C=C1)C3=NC4=CC=CC=C4C=C3C2
Structure:
CAS RN: 16675-59-5
CAS Name: 5-isoquinolinecarboxylic acid methyl ester
OPENEYE Name: methyl isoquinoline-5-carboxylate
IUPAC Name: methyl isoquinoline-5-carboxylate
SYSTEMATIC NAME: methyl isoquinoline-5-carboxylate
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: COC(=O)C1=CC=CC2=C1C=CN=C2
Structure:
CAS RN: 1972-30-1
CAS Name: 3-(2-chloroethoxy)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: 3-(2-chloroethoxy)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: 3-(2-chloroethoxy)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 3-(2-chloroethyloxy)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C29H49ClO
MOLECULAR WEIGHT: 449.15176
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCl)C)C
Structure:
CAS RN: 5895-91-0
CAS Name: 3,5-dinitrobenzoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,5-dinitrobenzoate
MOLECULAR FORMULA: C34H46N2O6
MOLECULAR WEIGHT: 578.73884
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C)C
Structure:
CAS RN: 633-31-8
CAS Name: propanoic acid [10,13-dimethyl-17-(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: [17-(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] propanoate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: CCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Structure:
CAS RN: 85179-02-8
CAS Name: acetic acid [17-(1-amino-1-oxopropan-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: [17-(2-amino-1-methyl-2-oxo-ethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [17-(1-amino-1-oxopropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [17-(1-azanyl-1-oxidanylidene-propan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C24H37NO3
MOLECULAR WEIGHT: 387.55548
SMILES: CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)N
Structure:
CAS RN: 1059-86-5
CAS Name: acetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C29H46O2
MOLECULAR WEIGHT: 426.67434
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OC(=O)C)C)C
Structure:
CAS RN: 1989-52-2
CAS Name: tetradecanoic acid [10,13-dimethyl-17-(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: [17-(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] tetradecanoate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoate
MOLECULAR FORMULA: C41H72O2
MOLECULAR WEIGHT: 597.00918
SMILES: CCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Structure:
CAS RN: 474-75-9
CAS Name: 3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: 17-(1,5-dimethylhexyl)-3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: 3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 3-fluoranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H45F
MOLECULAR WEIGHT: 388.644603
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)F)C)C
Structure:
CAS RN: 55644-79-6
CAS Name: 2-(1,2-dihydroxyethyl)-6-phenylmethoxyoxane-3,4,5-triol
OPENEYE Name: 2-benzyloxy-6-(1,2-dihydroxyethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(1,2-dihydroxyethyl)-6-phenylmethoxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-[1,2-bis(oxidanyl)ethyl]-6-phenylmethoxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C14H20O7
MOLECULAR WEIGHT: 300.3044
SMILES: C1=CC=C(C=C1)COC2C(C(C(C(O2)C(CO)O)O)O)O
Structure:
CAS RN: 35023-70-2
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2,4,6-tribromophenoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(2,4,6-tribromophenoxy)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(2,4,6-tribromophenoxy)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[2,4,6-tris(bromanyl)phenoxy]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H21Br3O10
MOLECULAR WEIGHT: 661.08674
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2Br)Br)Br)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 71788-49-3
CAS Name: 3-hydroxy-4-methyl-2-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 3-hydroxy-4-methyl-2-nitro-benzoate
IUPAC Name: methyl 3-hydroxy-4-methyl-2-nitrobenzoate
SYSTEMATIC NAME: methyl 4-methyl-2-nitro-3-oxidanyl-benzoate
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: CC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])O
Structure:
CAS RN: 7533-21-3
CAS Name: 6-methoxyquinoline; 2,4,6-trinitrophenol
OPENEYE Name: 6-methoxyquinoline; picric acid
IUPAC Name: 6-methoxyquinoline; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 6-methoxyquinoline; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C16H12N4O8
MOLECULAR WEIGHT: 388.28848
SMILES: COC1=CC2=C(C=C1)N=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 22991-47-5
CAS Name: 4-nitro-3-pentadecylphenol
OPENEYE Name: 4-nitro-3-pentadecyl-phenol
IUPAC Name: 4-nitro-3-pentadecylphenol
SYSTEMATIC NAME: 4-nitro-3-pentadecyl-phenol
MOLECULAR FORMULA: C21H35NO3
MOLECULAR WEIGHT: 349.5075
SMILES: CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)[N+](=O)[O-]
Structure:
CAS RN: 4895-92-5
CAS Name: 9-phenanthrenecarboxylic acid ethyl ester
OPENEYE Name: ethyl phenanthrene-9-carboxylate
IUPAC Name: ethyl phenanthrene-9-carboxylate
SYSTEMATIC NAME: ethyl phenanthrene-9-carboxylate
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: CCOC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31
Structure:
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