methyl 3,7-diacetyloxy-10,13-dimethyl-12-oxidanyl-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate

Systemtic Name: methyl 3,7-diacetyloxy-10,13-dimethyl-12-oxidanyl-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate Openeye Name: methyl 3,7-diacetoxy-12-hydroxy-10,13-dimethyl-17-(1-methylbutyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate CAS Name: 3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid methyl ester IUPAC Name: methyl 3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-17-pentan-2-yl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylate Traditional Name: 3,7-diacetoxy-12-hydroxy-10,13-dimethyl-17-(1-methylbutyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid methyl ester Formula: C30H48O7 MolecularWeight: 520.69792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1CCC2C1(C(CC3C2C(CC4(C3(CCC(C4)OC(=O)C)C)C(=O)OC)OC(=O)C)O)C

Isomeric SMILES

CCCC(C)C1CCC2C1(C(CC3C2C(CC4(C3(CCC(C4)OC(=O)C)C)C(=O)OC)OC(=O)C)O)C

InChI

InChI=1S/C30H48O7/c1-8-9-17(2)21-10-11-22-26-23(14-25(33)29(21,22)6)28(5)13-12-20(36-18(3)31)15-30(28,27(34)35-7)16-24(26)37-19(4)32/h17,20-26,33H,8-16H2,1-7H3