S-[(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-bis(oxidanylidene)spiro[2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] propanethioate

Systemtic Name: S-[(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-bis(oxidanylidene)spiro[2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] propanethioate Openeye Name: S-[(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl] propanethioate CAS Name: propanethioic acid S-[(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl] ester IUPAC Name: S-[(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] propanethioate Traditional Name: propanethioic acid S-[(7R,8R,9S,10R,13S,14S)-3,5'-diketo-10,13-dimethyl-spiro[2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl] ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC1CC2=CC(=O)CCC2(C3C1C4C=CC5(C4(CC3)C)CCC(=O)O5)C

Isomeric SMILES

CCC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4C=CC5([C@]4(CC3)C)CCC(=O)O5)C

InChI

InChI=1S/C25H32O4S/c1-4-21(28)30-19-14-15-13-16(26)5-9-23(15,2)17-6-10-24(3)18(22(17)19)7-11-25(24)12-8-20(27)29-25/h7,11,13,17-19,22H,4-6,8-10,12,14H2,1-3H3/t17-,18-,19+,22+,23-,24-,25?/m0/s1