[(5S,6R,7R,8R,9S,10R,13S,14S,17S)-17-methoxy-10,13-dimethyl-7-oxidanyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-6-yl] benzoate

Systemtic Name: [(5S,6R,7R,8R,9S,10R,13S,14S,17S)-17-methoxy-10,13-dimethyl-7-oxidanyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-6-yl] benzoate Openeye Name: [(5S,6R,7R,8R,9S,10R,13S,14S,17S)-7-hydroxy-17-methoxy-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-6-yl] benzoate CAS Name: benzoic acid [(5S,6R,7R,8R,9S,10R,13S,14S,17S)-7-hydroxy-17-methoxy-10,13-dimethyl-6-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]yl] ester IUPAC Name: [(5S,6R,7R,8R,9S,10R,13S,14S,17S)-7-hydroxy-17-methoxy-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-6-yl] benzoate Traditional Name: benzoic acid [(5S,6R,7R,8R,9S,10R,13S,14S,17S)-7-hydroxy-17-methoxy-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-6-yl] ester Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC)C(C(C4C3(CCC5(C4)OCCO5)C)OC(=O)C6=CC=CC=C6)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC)[C@H]([C@@H]([C@@H]4[C@@]3(CCC5(C4)OCCO5)C)OC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C29H40O6/c1-27-13-14-29(33-15-16-34-29)17-21(27)25(35-26(31)18-7-5-4-6-8-18)24(30)23-19-9-10-22(32-3)28(19,2)12-11-20(23)27/h4-8,19-25,30H,9-17H2,1-3H3/t19-,20-,21+,22-,23-,24+,25+,27+,28-/m0/s1