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HEPTAKIS-[2-O-ALLYL-6-DEOXY-6-(2,2,2-TRIFLUOROETHYL)-THIO]-BETA-CYCLODEXTRIN
SpectraBase Compound ID I7EtVZRvsdP
InChI InChI=1S/C77H105F21O28S7/c1-8-15-106-57-43(99)50-36(22-127-29-71(78,79)80)113-64(57)120-51-37(23-128-30-72(81,82)83)114-66(58(44(51)100)107-16-9-2)122-53-39(25-130-32-74(87,88)89)116-68(60(46(53)102)109-18-11-4)124-55-41(27-132-34-76(93,94)95)118-70(62(48(55)104)111-20-13-6)126-56-42(28-133-35-77(96,97)98)119-69(63(49(56)105)112-21-14-7)125-54-40(26-131-33-75(90,91)92)117-67(61(47(54)103)110-19-12-5)123-52-38(24-129-31-73(84,85)86)115-65(121-50)59(45(52)101)108-17-10-3/h8-14,36-70,99-105H,1-7,15-35H2/t36-,37-,38-,39-,40-,41-,42+,43+,44+,45+,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-/m1/s1
InChIKey QGKXVKIWMUUPNS-UDNLIRHOSA-N
Mol Weight 2102.0 g/mol
Molecular Formula C77H105F21O28S7
Exact Mass 2100.450202 g/mol
Enantiomer InChIKey QGKXVKIWMUUPNS-KRFPOHQESA-N
Unknown Identification

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