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

Systemtic Name: 2-[13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]-2-[6,6,7,7,7-pentakis(fluoranyl)heptyl]decanoic acid Openeye Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid CAS Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid IUPAC Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid Traditional Name: 2-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl)-2-(6,6,7,7,7-pentafluoroheptyl)capric acid Formula: C35H51F5O4 MolecularWeight: 630.769056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC(C(F)(F)F)(F)F)(C1CC2(C(CCC2O)C3C1C4=C(CC3)C=C(C=C4)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCCCCC(C(F)(F)F)(F)F)(C1CC2(C(CCC2O)C3C1C4=C(CC3)C=C(C=C4)O)C)C(=O)O

InChI

InChI=1S/C35H51F5O4/c1-3-4-5-6-7-9-18-33(31(43)44,19-10-8-11-20-34(36,37)35(38,39)40)28-22-32(2)27(16-17-29(32)42)26-14-12-23-21-24(41)13-15-25(23)30(26)28/h13,15,21,26-30,41-42H,3-12,14,16-20,22H2,1-2H3,(H,43,44)