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Molecular Formula: C79H102O47
Molecular weight: 1803.62698
InChi: InChI=1S/C79H102O47/c1-32(80)98-26-50-56-62(104-38(7)86)68(97-25-21-24-49-22-19-18-20-23-49)74(115-50)121-57-51(27-99-33(2)81)116-76(69(110-44(13)92)63(57)105-39(8)87)123-59-53(29-101-35(4)83)118-78(71(112-46(15)94)65(59)107-41(10)89)125-61-55(31-103-37(6)85)120-79(73(114-48(17)96)67(61)109-43(12)91)126-60-54(30-102-36(5)84)119-77(72(113-47(16)95)66(60)108-42(11)90)124-58-52(28-100-34(3)82)117-75(122-56)70(111-45(14)93)64(58)106-40(9)88/h18-24,50-79H,25-31H2,1-17H3/b24-21+/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m1/s1
InChi Key: NPRZAWZREXXRTP-SJFAGVEESA-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/C=C/c1ccccc1)OC(=O)C)OC(=O)C)OC(=O)C
Chemical Name
per-O-acetyl-2-O-cinnamyl-α-cyclodextrin
External Links
PubChem