(11R,13S,17R)-13-methyl-11-(4-morpholin-4-ylphenyl)-1'-oxidanylidene-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-thiolane]-3-one

Systemtic Name: (11R,13S,17R)-13-methyl-11-(4-morpholin-4-ylphenyl)-1'-oxidanylidene-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-thiolane]-3-one Openeye Name: (11R,13S,17R)-13-methyl-11-(4-morpholinophenyl)-1'-oxo-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-thiolane]-3-one CAS Name: (11R,13S,17R)-13-methyl-11-[4-(4-morpholinyl)phenyl]-1'-oxo-3-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-thiolane]one IUPAC Name: (11R,13S,17R)-13-methyl-11-(4-morpholin-4-ylphenyl)-1'-oxospiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-thiolane]-3-one Traditional Name: (11R,13S,17R)-1'-keto-13-methyl-11-(4-morpholinophenyl)spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-thiolane]-3-one Formula: C31H39NO3S MolecularWeight: 505.71126

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC25CCCS5=O)C6=CC=C(C=C6)N7CCOCC7

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@@]25CCCS5=O)C6=CC=C(C=C6)N7CCOCC7

InChI

InChI=1S/C31H39NO3S/c1-30-20-27(21-3-6-23(7-4-21)32-14-16-35-17-15-32)29-25-10-8-24(33)19-22(25)5-9-26(29)28(30)11-13-31(30)12-2-18-36(31)34/h3-4,6-7,19,26-28H,2,5,8-18,20H2,1H3/t26?,27-,28?,30+,31+,36?/m1/s1