3-[2-(9-fluoranyl-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(9-fluoranyl-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethylthio]propanoic acid IUPAC Name: 3-[2-(9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(9-fluoro-10,13,16-trimethyl-3,6,7,8,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)ethylthio]propionic acid Formula: C25H37FO2S MolecularWeight: 420.623483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CCC=CC4(C3(CCC2(C1CCSCCC(=O)O)C)F)C

Isomeric SMILES

CC1CC2C3CCC4=CCC=CC4(C3(CCC2(C1CCSCCC(=O)O)C)F)C

InChI

InChI=1S/C25H37FO2S/c1-17-16-21-20-8-7-18-6-4-5-11-24(18,3)25(20,26)13-12-23(21,2)19(17)9-14-29-15-10-22(27)28/h5-6,11,17,19-21H,4,7-10,12-16H2,1-3H3,(H,27,28)