9-fluoranyl-10,13,16-trimethyl-17-[2-(phenylmethylsulfanyl)ethyl]-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

Systemtic Name: 9-fluoranyl-10,13,16-trimethyl-17-[2-(phenylmethylsulfanyl)ethyl]-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene Openeye Name: 17-(2-benzylsulfanylethyl)-9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene CAS Name: 9-fluoro-10,13,16-trimethyl-17-[2-(phenylmethylthio)ethyl]-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene IUPAC Name: 17-(2-benzylsulfanylethyl)-9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene Traditional Name: 17-[2-(benzylthio)ethyl]-9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene Formula: C29H39FS MolecularWeight: 438.683363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CCC=CC4(C3(CCC2(C1CCSCC5=CC=CC=C5)C)F)C

Isomeric SMILES

CC1CC2C3CCC4=CCC=CC4(C3(CCC2(C1CCSCC5=CC=CC=C5)C)F)C

InChI

InChI=1S/C29H39FS/c1-21-19-26-25-13-12-23-11-7-8-15-28(23,3)29(25,30)17-16-27(26,2)24(21)14-18-31-20-22-9-5-4-6-10-22/h4-6,8-11,15,21,24-26H,7,12-14,16-20H2,1-3H3