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

Systemtic Name: (3R,5R,8S,9S,10S,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-oxidanyl-17-(2-oxidanylethanoyl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Openeye Name: (3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one CAS Name: (3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one IUPAC Name: (3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Traditional Name: (3R,5R,8S,9S,10S,13R,14S,17S)-17-glycoloyl-3-hydroxy-10-methyl-13-methylol-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)CO)O

Isomeric SMILES

C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O

InChI

InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12-,13-,14+,15+,16-,19-,20+,21-/m1/s1