(7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-7,10,13-trimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-7,10,13-trimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: (7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-7,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: (7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-7,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: (7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-7,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: (7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-7,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(C#C)O)C

Isomeric SMILES

C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O)C

InChI

InChI=1S/C22H30O2/c1-5-22(24)11-8-18-19-14(2)12-15-13-16(23)6-9-20(15,3)17(19)7-10-21(18,22)4/h1,13-14,17-19,24H,6-12H2,2-4H3/t14-,17+,18+,19-,20+,21+,22+/m1/s1