[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosakis(fluoranyl)hexadecanoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosakis(fluoranyl)hexadecanoate Openeye Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosafluorohexadecanoate CAS Name: 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heneicosafluorohexadecanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosafluorohexadecanoate Traditional Name: 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heneicosafluoropalmitic acid [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C43H55F21O2 MolecularWeight: 1002.862067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)C

InChI

InChI=1S/C43H55F21O2/c1-23(2)10-9-11-24(3)28-15-16-29-27-14-13-25-22-26(17-20-32(25,4)30(27)18-21-33(28,29)5)66-31(65)12-7-6-8-19-34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)40(56,57)41(58,59)42(60,61)43(62,63)64/h13,23-24,26-30H,6-12,14-22H2,1-5H3