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Molecular Formula: C77H99F7O47
Molecular weight: 1909.5705824
InChi: InChI=1S/C77H99F7O47/c1-28(85)103-23-46-52-58(109-34(7)91)65(116-41(14)98)71(122-46)129-54-48(25-105-30(3)87)124-73(67(118-43(16)100)60(54)111-36(9)93)131-56-50(27-107-32(5)89)125-74(68(119-44(17)101)62(56)113-38(11)95)130-55-49(26-106-31(4)88)123-72(66(117-42(15)99)61(55)112-37(10)94)128-53-47(24-104-29(2)86)121-70(64(115-40(13)97)59(53)110-35(8)92)126-51-45(120-69(127-52)63(114-39(12)96)57(51)108-33(6)90)22-102-21-19-18-20-75(78,79)76(80,81)77(82,83)84/h18-19,45-74H,20-27H2,1-17H3/b19-18-/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m1/s1
InChi Key: NQITXPYYOSZSBZ-NFPMXUIVSA-N
SMILES: [C@H]12[C@@H]([C@H]([C@H](O[C@@H]1COC/C=C\CC(C(C(F)(F)F)(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](O2)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)-5,5,6,6,7,7,7-heptafluorohept-2-en-1-yl)-α-cyclodextrin
External Links
PubChem