(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-oxidanylethanoyl)-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-oxidanylethanoyl)-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10R,13S,14S,17S)-17-glycoloyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=O)CO)C=CC4=CC(=O)C=CC34C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)C=CC4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C21H26O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,7,9,11,15-18,22H,5-6,8,10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1