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Molecular Formula: C45H68O30
Molecular weight: 1089.00342
InChi: InChI=1S/C45H68O30/c46-9-16-33-22(52)27(57)40(64-16)71-34-17(10-47)66-42(29(59)24(34)54)73-36-19(12-49)68-44(31(61)26(36)56)75-38-21(14-51)69-45(32(62)39(38)63-8-4-7-15-5-2-1-3-6-15)74-37-20(13-50)67-43(30(60)25(37)55)72-35-18(11-48)65-41(70-33)28(58)23(35)53/h1-7,16-62H,8-14H2/b7-4+/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m1/s1
InChi Key: LJULAXBPVIYIMI-VCDOSPSMSA-N
SMILES: [C@H]12[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)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]4CO)O)O)O[C@@H]3CO)O)O)O[C@@H]1CO)O)O)O)O)O)O)O)OC/C=C/c1ccccc1
Chemical Name
3-O-cinnamyl-α-CD
External Links
PubChem