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Per-O-acetyl-3(I)-O-allyl-.beta.-cyclodextrin
SpectraBase Compound ID ITwU5dCAHGT
InChI InChI=1S/C85H114O55/c1-22-23-106-65-58-51(24-107-31(2)86)127-79(72(65)120-44(15)99)135-59-52(25-108-32(3)87)129-81(74(122-46(17)101)66(59)114-38(9)93)137-61-54(27-110-34(5)89)131-83(76(124-48(19)103)68(61)116-40(11)95)139-63-56(29-112-36(7)91)133-85(78(126-50(21)105)70(63)118-42(13)97)140-64-57(30-113-37(8)92)132-84(77(125-49(20)104)71(64)119-43(14)98)138-62-55(28-111-35(6)90)130-82(75(123-47(18)102)69(62)117-41(12)96)136-60-53(26-109-33(4)88)128-80(134-58)73(121-45(16)100)67(60)115-39(10)94/h22,51-85H,1,23-30H2,2-21H3/t51-,52+,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+/m1/s1
InChIKey NPDANGKQVAYNIU-CKZCMGBKSA-N
Mol Weight 2015.8 g/mol
Molecular Formula C85H114O55
Exact Mass 2014.612358 g/mol
Enantiomer InChIKey NPDANGKQVAYNIU-TUYQWCNISA-N
Unknown Identification

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