S-[(7R,8S,9S,10R,13S,14R,17R)-10-methyl-3,5'-bis(oxidanylidene)spiro[1,2,6,7,8,9,11,12,13,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

Systemtic Name: S-[(7R,8S,9S,10R,13S,14R,17R)-10-methyl-3,5'-bis(oxidanylidene)spiro[1,2,6,7,8,9,11,12,13,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate Openeye Name: S-[(7R,8S,9S,10R,13S,14R,17R)-10-methyl-3,5'-dioxo-spiro[1,2,6,7,8,9,11,12,13,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl] ethanethioate CAS Name: ethanethioic acid S-[(7R,8S,9S,10R,13S,14R,17R)-10-methyl-3,5'-dioxo-7-spiro[1,2,6,7,8,9,11,12,13,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]yl] ester IUPAC Name: S-[(7R,8S,9S,10R,13S,14R,17R)-10-methyl-3,5'-dioxospiro[1,2,6,7,8,9,11,12,13,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate Traditional Name: ethanethioic acid S-[(7R,8S,9S,10R,13S,14R,17R)-3,5'-diketo-10-methyl-spiro[1,2,6,7,8,9,11,12,13,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl] ester Formula: C23H30O4S MolecularWeight: 402.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4CC3)CCC(=O)O5)C

Isomeric SMILES

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@H]4CC3)CCC(=O)O5)C

InChI

InChI=1S/C23H30O4S/c1-13(24)28-19-12-14-11-15(25)5-8-22(14,2)18-4-3-17-16(21(18)19)6-9-23(17)10-7-20(26)27-23/h11,16-19,21H,3-10,12H2,1-2H3/t16-,17+,18+,19-,21+,22+,23-/m1/s1