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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)70-34-17(10-47)65-42(28(58)23(34)53)72-36-19(12-49)67-44(30(60)25(36)55)74-38-21(14-51)69-45(39(32(38)62)63-8-4-7-15-5-2-1-3-6-15)75-37-20(13-50)68-43(31(61)26(37)56)73-35-18(11-48)66-41(71-33)29(59)24(35)54/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: KISGBVTWSMYGED-GNQYVUDRSA-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)OC/C=C/c1ccccc1)O
Chemical Name
2-O-cinnamyl-α-CD
External Links
PubChem