10-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]-2-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]decanoic acid

Systemtic Name: 10-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]-2-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]decanoic acid Openeye Name: 10-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)decanoic acid CAS Name: 10-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)decanoic acid IUPAC Name: 10-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)decanoic acid Traditional Name: 10-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)capric acid Formula: C34H45F9O4 MolecularWeight: 688.704329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)CCCCCCCCC(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)O

Isomeric SMILES

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4)O)CCCCCCCCC(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)O

InChI

InChI=1S/C34H45F9O4/c1-30-19-22(28-24-13-11-23(44)18-21(24)10-12-25(28)26(30)14-15-27(30)45)9-7-5-3-2-4-6-8-20(29(46)47)16-17-31(35,36)32(37,38)33(39,40)34(41,42)43/h11,13,18,20,22,25-28,44-45H,2-10,12,14-17,19H2,1H3,(H,46,47)