methyl 4-[3-(2-methoxyphenyl)carbonyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl 4-[3-(2-methoxyphenyl)carbonyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl 4-[3,7,12-trihydroxy-3-(2-methoxybenzoyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: 4-[3,7,12-trihydroxy-3-[(2-methoxyphenyl)-oxomethyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl 4-[3,7,12-trihydroxy-3-(2-methoxybenzoyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-3-o-anisoyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)valeric acid methyl ester Formula: C33H48O7 MolecularWeight: 556.73002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)(C(=O)C5=CC=CC=C5OC)O)C)O)O)C

Isomeric SMILES

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)(C(=O)C5=CC=CC=C5OC)O)C)O)O)C

InChI

InChI=1S/C33H48O7/c1-19(10-13-28(36)40-5)22-11-12-23-29-24(17-27(35)32(22,23)3)31(2)14-15-33(38,18-20(31)16-25(29)34)30(37)21-8-6-7-9-26(21)39-4/h6-9,19-20,22-25,27,29,34-35,38H,10-18H2,1-5H3