S-methyl 2-[(8S,10R,13S,14S)-13-methyl-3,17-bis(oxidanylidene)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanethioate

Systemtic Name: S-methyl 2-[(8S,10R,13S,14S)-13-methyl-3,17-bis(oxidanylidene)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanethioate Openeye Name: S-methyl 2-[(8S,10R,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanethioate CAS Name: 2-[(8S,10R,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanethioic acid S-methyl ester IUPAC Name: S-methyl 2-[(8S,10R,13S,14S)-13-methyl-3,17-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanethioate Traditional Name: 2-[(8S,10R,13S,14S)-3,17-diketo-13-methyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-10-yl]ethanethioic acid S-methyl ester Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C3C(C1CCC2=O)CCC4=CC(=O)CCC43CC(=O)SC

Isomeric SMILES

C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43CC(=O)SC

InChI

InChI=1S/C21H26O3S/c1-20-9-8-17-15(16(20)5-6-18(20)23)4-3-13-11-14(22)7-10-21(13,17)12-19(24)25-2/h8,11,15-16H,3-7,9-10,12H2,1-2H3/t15-,16-,20-,21+/m0/s1