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

Systemtic Name: (8R,9S,10R,13S,14S,16S,17R)-13-ethyl-17-ethynyl-16,17-bis(oxidanyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8R,9S,10R,13S,14S,16S,17R)-13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8R,9S,10R,13S,14S,16S,17R)-13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8R,9S,10R,13S,14S,16S,17R)-13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8R,9S,10R,13S,14S,16S,17R)-13-ethyl-17-ethynyl-16,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CC(C2(C#C)O)O)CCC4=CC(=O)CCC34

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-3-20-10-9-16-15-8-6-14(22)11-13(15)5-7-17(16)18(20)12-19(23)21(20,24)4-2/h2,11,15-19,23-24H,3,5-10,12H2,1H3/t15-,16+,17+,18-,19-,20-,21-/m0/s1