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

Systemtic Name: (8S,9S,10S,13R,14S,17S)-10,13-bis(hydroxymethyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10S,13R,14S,17S)-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10S,13R,14S,17S)-10,13-bis(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10S,13R,14S,17S)-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10S,13R,14S,17S)-17-glycoloyl-10,13-dimethylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(C1C3CCC4=CC(=O)CCC4(C3CC2)CO)CO)C(=O)CO

Isomeric SMILES

C1C[C@@H]([C@@]2([C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC2)CO)CO)C(=O)CO

InChI

InChI=1S/C21H30O5/c22-10-19(26)18-4-3-16-15-2-1-13-9-14(25)5-7-20(13,11-23)17(15)6-8-21(16,18)12-24/h9,15-18,22-24H,1-8,10-12H2/t15-,16-,17-,18+,20+,21+/m0/s1