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Molecular Formula: C96H128O64
Molecular weight: 2306.00512
InChi: InChI=1S/C96H128O64/c1-34(98)122-26-57-65-73(130-42(9)106)81(121-25-24-97)89(145-57)153-66-58(27-123-35(2)99)146-91(82(138-50(17)114)74(66)131-43(10)107)155-68-60(29-125-37(4)101)148-93(84(140-52(19)116)76(68)133-45(12)109)157-70-62(31-127-39(6)103)150-95(86(142-54(21)118)78(70)135-47(14)111)159-72-64(33-129-41(8)105)152-96(88(144-56(23)120)80(72)137-49(16)113)160-71-63(32-128-40(7)104)151-94(87(143-55(22)119)79(71)136-48(15)112)158-69-61(30-126-38(5)102)149-92(85(141-53(20)117)77(69)134-46(13)110)156-67-59(28-124-36(3)100)147-90(154-65)83(139-51(18)115)75(67)132-44(11)108/h24,57-96H,25-33H2,1-23H3/t57-,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-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-/m1/s1
InChi Key: ZCRIBJOLRBQWMW-KQYVHXRASA-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]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=O)OC(=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-2I-O-formylmethyl-γ-cyclodextrin
External Links
PubChem