(8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

Systemtic Name: (8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one Openeye Name: (8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one CAS Name: (8R,9S,13S,14S)-16-[bis(methylthio)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one IUPAC Name: (8R,9S,13S,14S)-16-[bis(methylsulfanyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one Traditional Name: (8R,9S,13S,14S)-16-[bis(methylthio)methylene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one Formula: C22H28O2S2 MolecularWeight: 388.58652

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(=C(SC)SC)C2=O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C(SC)SC)C2=O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H28O2S2/c1-22-10-9-16-15-8-6-14(24-2)11-13(15)5-7-17(16)19(22)12-18(20(22)23)21(25-3)26-4/h6,8,11,16-17,19H,5,7,9-10,12H2,1-4H3/t16-,17-,19+,22+/m1/s1