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Molecular Formula: C97H130O63
Molecular weight: 2304.0323
InChi: InChI=1S/C97H130O63/c1-25-26-121-74-66-58(27-122-35(2)98)145-90(82(74)137-50(17)113)154-67-59(28-123-36(3)99)147-92(84(139-52(19)115)75(67)130-43(10)106)156-69-61(30-125-38(5)101)149-94(86(141-54(21)117)77(69)132-45(12)108)158-71-63(32-127-40(7)103)151-96(88(143-56(23)119)79(71)134-47(14)110)160-73-65(34-129-42(9)105)152-97(89(144-57(24)120)81(73)136-49(16)112)159-72-64(33-128-41(8)104)150-95(87(142-55(22)118)80(72)135-48(15)111)157-70-62(31-126-39(6)102)148-93(85(140-53(20)116)78(70)133-46(13)109)155-68-60(29-124-37(4)100)146-91(153-66)83(138-51(18)114)76(68)131-44(11)107/h25,58-97H,1,26-34H2,2-24H3/t58-,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-,97-/m1/s1
InChi Key: IKEJMHKYLSBBKR-DBEXDJKRSA-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)OC(=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)OC(=O)C
Chemical Name
per-O-acetyl-3I-O-allyl-γ-cyclodextrin
External Links
PubChem