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[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]propanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]methyl]benzoate

Systemtic Name:	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]propanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]methyl]benzoate
Openeye Name:	[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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] 4-[[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]methyl]benzoate
CAS Name:	4-[[[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-oxoundecyl)-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]-1-oxopropyl]-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]methyl]benzoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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:	[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]methyl]benzoate
Traditional Name:	4-[[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]methyl]benzoic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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:	C₇₁H₇₁F₅₁N₂O₄
MolecularWeight:	1985.253003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)CN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=C(C=C5)CN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)C

InChI

InChI=1S/C71H71F51N2O4/c1-33(2)9-6-10-34(3)40-17-18-41-39-16-15-37-31-38(19-25-46(37,4)42(39)20-26-47(40,41)5)128-45(127)36-13-11-35(12-14-36)32-124(29-8-24-49(74,75)52(80,81)55(86,87)58(92,93)61(98,99)64(104,105)67(110,111)70(117,118)119)44(126)22-30-123(28-7-23-48(72,73)51(78,79)54(84,85)57(90,91)60(96,97)63(102,103)66(108,109)69(114,115)116)43(125)21-27-50(76,77)53(82,83)56(88,89)59(94,95)62(100,101)65(106,107)68(112,113)71(120,121)122/h11-15,33-34,38-42H,6-10,16-32H2,1-5H3/t34-,38+,39+,40-,41+,42+,46+,47-/m1/s1

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