(5R,8S,13S,14S,17S)-17-ethanoyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (5R,8S,13S,14S,17S)-17-ethanoyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (5R,8S,13S,14S,17S)-17-acetyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (5R,8S,13S,14S,17S)-17-acetyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (5R,8S,13S,14S,17S)-17-acetyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (5R,8S,13S,14S,17S)-17-acetyl-5,13-dimethyl-1,2,4,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3=C4CCC(=O)CC4(CCC23)C)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C[C@]4(CC[C@@H]23)C)C

InChI

InChI=1S/C21H30O2/c1-13(22)17-6-7-19-16-8-10-20(2)12-14(23)4-5-18(20)15(16)9-11-21(17,19)3/h16-17,19H,4-12H2,1-3H3/t16-,17-,19+,20-,21-/m1/s1