[13-methyl-3-oxidanyl-11-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfonyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [13-methyl-3-oxidanyl-11-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfonyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [3-hydroxy-13-methyl-11-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [3-hydroxy-13-methyl-11-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [3-hydroxy-13-methyl-11-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [3-hydroxy-13-methyl-11-[9-(4,4,5,5,5-pentafluoropentylsulfonyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C34H49F5O5S MolecularWeight: 664.806876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CC(C3C2CCC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)C

Isomeric SMILES

CC(=O)OC1CCC2C1(CC(C3C2CCC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)C

InChI

InChI=1S/C34H49F5O5S/c1-23(40)44-30-17-16-29-28-14-12-24-21-26(41)13-15-27(24)31(28)25(22-32(29,30)2)11-8-6-4-3-5-7-9-19-45(42,43)20-10-18-33(35,36)34(37,38)39/h13,15,21,25,28-31,41H,3-12,14,16-20,22H2,1-2H3