(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,1,2-tris(oxidanyl)-3,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-11-one

Systemtic Name: (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,1,2-tris(oxidanyl)-3,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-11-one Openeye Name: (8S,9S,10S,13R,14S,17S)-17-ethyl-1,1,2-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-11-one CAS Name: (8S,9S,10S,13R,14S,17S)-17-ethyl-1,1,2-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-11-one IUPAC Name: (8S,9S,10S,13R,14S,17S)-17-ethyl-1,1,2-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-11-one Traditional Name: (8S,9S,10S,13R,14S,17S)-17-ethyl-1,1,2-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-11-one Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2C1(CC(=O)C3C2CCC4C3(C(C(CC4)O)(O)O)C)C

Isomeric SMILES

CC[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4[C@@]3(C(C(CC4)O)(O)O)C)C

InChI

InChI=1S/C21H34O4/c1-4-12-6-9-15-14-8-5-13-7-10-17(23)21(24,25)20(13,3)18(14)16(22)11-19(12,15)2/h12-15,17-18,23-25H,4-11H2,1-3H3/t12-,13?,14-,15-,17?,18+,19+,20-/m0/s1