13-methyl-11-[5-[methyl-[3-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]propyl]amino]pentyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: 13-methyl-11-[5-[methyl-[3-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]propyl]amino]pentyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: 13-methyl-11-[5-[methyl-[3-(4,4,5,5,5-pentafluoropentylsulfanyl)propyl]amino]pentyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: 13-methyl-11-[5-[methyl-[3-(4,4,5,5,5-pentafluoropentylthio)propyl]amino]pentyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: 13-methyl-11-[5-[methyl-[3-(4,4,5,5,5-pentafluoropentylsulfanyl)propyl]amino]pentyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: 13-methyl-11-[5-[methyl-[3-(4,4,5,5,5-pentafluoropentylthio)propyl]amino]pentyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C32H48F5NO2S MolecularWeight: 605.786036

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)CCCCCN(C)CCCSCCCC(C(F)(F)F)(F)F

Isomeric SMILES

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)CCCCCN(C)CCCSCCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C32H48F5NO2S/c1-30-21-23(29-25-12-10-24(39)20-22(25)9-11-26(29)27(30)13-14-28(30)40)8-4-3-5-16-38(2)17-7-19-41-18-6-15-31(33,34)32(35,36)37/h10,12,20,23,26-29,39-40H,3-9,11,13-19,21H2,1-2H3