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Molecular Formula: C89H115F7O55
Molecular weight: 2197.8212224
InChi: InChI=1S/C89H115F7O55/c1-32(97)118-26-53-60-67(125-39(8)104)75(133-47(16)112)82(140-53)148-62-55(28-120-34(3)99)142-84(77(135-49(18)114)69(62)127-41(10)106)150-64-57(30-122-36(5)101)144-86(79(137-51(20)116)71(64)129-43(12)108)151-65-58(31-123-37(6)102)143-85(78(136-50(19)115)72(65)130-44(13)109)149-63-56(29-121-35(4)100)141-83(76(134-48(17)113)70(63)128-42(11)107)147-61-54(27-119-33(2)98)139-81(74(132-46(15)111)68(61)126-40(9)105)145-59-52(138-80(146-60)73(131-45(14)110)66(59)124-38(7)103)25-117-24-22-21-23-87(90,88(91,92)93)89(94,95)96/h21-22,52-86H,23-31H2,1-20H3/b22-21-/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m1/s1
InChi Key: HBRNAEQKNGZNOJ-RUJCHFGKSA-N
SMILES: [C@H]12[C@@H]([C@H]([C@H](O[C@@H]1COC/C=C\CC(C(F)(F)F)(C(F)(F)F)F)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1COC(=O)C)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1COC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]5[C@@H]([C@H]([C@@H](O2)O[C@@H]5COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]4COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]1COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Chemical Name
per-O-acetyl-6(I)-O-((Z)-5,6,6,6-tetrafluoro-5-(trifluoromethyl)hex-2-en-1-yl)-β-cyclodextrin
External Links
PubChem