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

Systemtic Name: (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-oxidanylprop-2-ynyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C22H30O2 MolecularWeight: 326.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(C#C)O)CCC4=CC(=O)CCC34C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@H](C#C)O)CCC4=CC(=O)CC[C@]34C

InChI

InChI=1S/C22H30O2/c1-4-20(24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h1,13,16-20,24H,5-12H2,2-3H3/t16-,17-,18-,19+,20-,21-,22-/m0/s1