Molecular Formula: C₇₇H₉₇N₂₁O₄₁

Molecular weight: 1972.71018

InChi: InChI=1S/C77H97N21O41/c1-29(99)113-57-50-43(22-85-92-78)126-71(64(57)112-21-17-20-42-18-15-14-16-19-42)133-51-44(23-86-93-79)127-73(65(120-36(8)106)58(51)114-30(2)100)135-53-46(25-88-95-81)129-75(67(122-38(10)108)60(53)116-32(4)102)137-55-48(27-90-97-83)131-77(69(124-40(12)110)62(55)118-34(6)104)139-56-49(28-91-98-84)132-76(70(125-41(13)111)63(56)119-35(7)105)138-54-47(26-89-96-82)130-74(68(123-39(11)109)61(54)117-33(5)103)136-52-45(24-87-94-80)128-72(134-50)66(121-37(9)107)59(52)115-31(3)101/h14-20,43-77H,21-28H2,1-13H3/b20-17+/t43-,44-,45-,46-,47-,48-,49-,50-,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-/m1/s1

InChi Key: JNCUBEPKPBQWCU-MHTSNGEHSA-N

SMILES: [C@H]12[C@@H]([C@H]([C@H](O[C@@H]1CN=N#N)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CN=N#N)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CN=N#N)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]5CN=N#N)OC(=O)C)OC(=O)C)O[C@@H]4CN=N#N)OC/C=C/c2ccccc2)OC(=O)C)O[C@@H]3CN=N#N)OC(=O)C)OC(=O)C)O[C@@H]1CN=N#N)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-per-6-azido-per-6-deoxy-2I-O-cinnamyl-β-cyclodextrin

External Links
PubChem

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