(8S,9S,13S,14R)-3-methoxy-13-methyl-14-[2-(phenylsulfonyl)ethyl]-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-17-one

Systemtic Name: (8S,9S,13S,14R)-3-methoxy-13-methyl-14-[2-(phenylsulfonyl)ethyl]-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-17-one Openeye Name: (8S,9S,13S,14R)-14-[2-(benzenesulfonyl)ethyl]-3-methoxy-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-17-one CAS Name: (8S,9S,13S,14R)-14-[2-(benzenesulfonyl)ethyl]-3-methoxy-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-17-one IUPAC Name: (8S,9S,13S,14R)-14-[2-(benzenesulfonyl)ethyl]-3-methoxy-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-17-one Traditional Name: (8S,9S,13S,14R)-14-(2-besylethyl)-3-methoxy-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-17-one Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(C=CC2=O)CCS(=O)(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@@H]([C@]1(C=CC2=O)CCS(=O)(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC

InChI

InChI=1S/C27H30O4S/c1-26-14-12-23-22-10-9-20(31-2)18-19(22)8-11-24(23)27(26,15-13-25(26)28)16-17-32(29,30)21-6-4-3-5-7-21/h3-7,9-10,13,15,18,23-24H,8,11-12,14,16-17H2,1-2H3/t23-,24+,26-,27+/m1/s1