Molecular Formula: C85H114O55
Molecular weight: 2015.78166
InChi: InChI=1S/C85H114O55/c1-22-23-106-24-51-58-65(113-37(8)92)72(120-44(15)99)79(127-51)135-59-52(25-107-31(2)86)129-81(74(122-46(17)101)66(59)114-38(9)93)137-61-54(27-109-33(4)88)131-83(76(124-48(19)103)68(61)116-40(11)95)139-63-56(29-111-35(6)90)133-85(78(126-50(21)105)70(63)118-42(13)97)140-64-57(30-112-36(7)91)132-84(77(125-49(20)104)71(64)119-43(14)98)138-62-55(28-110-34(5)89)130-82(75(123-47(18)102)69(62)117-41(12)96)136-60-53(26-108-32(3)87)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
InChi Key: QZRYHYVMZZFKBC-JPWUMKTCSA-N
SMILES: [C@H]12[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]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]1COCC=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'-O-allyl-β-cyclodextrin
per-O-acetyl-6A-O-allyl-β-cyclodextrin
per-O-acetyl-6'-O-allyl-β-cyclodextrin
per-O-acetyl-6A-O-allyl-β-cyclodextrin