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Molecular Formula: C85H114O55
Molecular weight: 2015.78166
InChi: InChI=1S/C85H114O55/c1-22-23-106-72-65(114-38(9)93)58-51(24-107-31(2)86)127-79(72)134-59-52(25-108-32(3)87)128-81(73(121-45(16)100)66(59)115-39(10)94)136-61-54(27-110-34(5)89)130-83(75(123-47(18)102)68(61)117-41(12)96)138-63-56(29-112-36(7)91)132-85(77(125-49(20)104)70(63)119-43(14)98)140-64-57(30-113-37(8)92)133-84(78(126-50(21)105)71(64)120-44(15)99)139-62-55(28-111-35(6)90)131-82(76(124-48(19)103)69(62)118-42(13)97)137-60-53(26-109-33(4)88)129-80(135-58)74(122-46(17)101)67(60)116-40(11)95/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: ZHQMLDJMRUXKCN-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]1COC(=O)C)OCC=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-2(I)-O-allyl-β-cyclodextrin
External Links
PubChem