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Molecular Formula: C72H96O49
Molecular weight: 1745.50324
InChi: InChI=1S/C72H96O49/c1-25(73)92-18-42-49-55(98-24-48(90)91)61(104-36(12)84)67(110-42)117-50-43(19-93-26(2)74)112-69(63(106-38(14)86)56(50)99-31(7)79)119-52-45(21-95-28(4)76)114-71(65(108-40(16)88)58(52)101-33(9)81)121-54-47(23-97-30(6)78)115-72(66(109-41(17)89)60(54)103-35(11)83)120-53-46(22-96-29(5)77)113-70(64(107-39(15)87)59(53)102-34(10)82)118-51-44(20-94-27(3)75)111-68(116-49)62(105-37(13)85)57(51)100-32(8)80/h42-47,49-72H,18-24H2,1-17H3,(H,90,91)/t42-,43-,44-,45-,46-,47-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
InChi Key: DBTDQAXUCIXWML-KNOPVKDVSA-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](O2)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)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC(=O)O
Chemical Name
per-O-acetyl-3-O-carboxymethyl-α-cyclodextrin
External Links
PubChem