(2R,3S,10R,13S)-17-[(2S)-1,2-diethoxypropan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

Systemtic Name: (2R,3S,10R,13S)-17-[(2S)-1,2-diethoxypropan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Openeye Name: (2R,3S,10R,13S)-17-[(1S)-1,2-diethoxy-1-methyl-ethyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one CAS Name: (2R,3S,10R,13S)-17-[(2S)-1,2-diethoxypropan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (2R,3S,10R,13S)-17-[(2S)-1,2-diethoxypropan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Traditional Name: (2R,3S,10R,13S)-17-[(1S)-1,2-diethoxy-1-methyl-ethyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one Formula: C26H44O5 MolecularWeight: 436.62456

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C)(C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)OCC

Isomeric SMILES

CCOC[C@](C)(C1CCC2[C@@]1(CCC3C2CC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)OCC

InChI

InChI=1S/C26H44O5/c1-6-30-15-26(5,31-7-2)23-9-8-17-16-12-20(27)19-13-21(28)22(29)14-25(19,4)18(16)10-11-24(17,23)3/h16-19,21-23,28-29H,6-15H2,1-5H3/t16?,17?,18?,19?,21-,22+,23?,24-,25+,26+/m0/s1