methyl 10,13-dimethyl-11-[3-methylbutyl(phenylmethoxycarbonyl)amino]-3-(phenylcarbonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: methyl 10,13-dimethyl-11-[3-methylbutyl(phenylmethoxycarbonyl)amino]-3-(phenylcarbonyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate Openeye Name: methyl 3-benzoyloxy-11-[benzyloxycarbonyl(isopentyl)amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate CAS Name: 3-benzoyloxy-10,13-dimethyl-11-[3-methylbutyl(phenylmethoxycarbonyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester IUPAC Name: methyl 3-benzoyloxy-10,13-dimethyl-11-[3-methylbutyl(phenylmethoxycarbonyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate Traditional Name: 3-benzoyloxy-11-[carbobenzoxy(isoamyl)amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Formula: C41H55NO6 MolecularWeight: 657.8785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CC2(C(CCC2C(=O)OC)C3C1C4(CCC(CC4CC3)OC(=O)C5=CC=CC=C5)C)C)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)CCN(C1CC2(C(CCC2C(=O)OC)C3C1C4(CCC(CC4CC3)OC(=O)C5=CC=CC=C5)C)C)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C41H55NO6/c1-27(2)21-23-42(39(45)47-26-28-12-8-6-9-13-28)35-25-41(4)33(18-19-34(41)38(44)46-5)32-17-16-30-24-31(20-22-40(30,3)36(32)35)48-37(43)29-14-10-7-11-15-29/h6-15,27,30-36H,16-26H2,1-5H3