Molecular Formula: C71H91N21O41
Molecular weight: 1894.59834
InChi: InChI=1S/C71H91N21O41/c1-15-16-106-58-51(107-24(2)93)44-37(17-79-86-72)120-65(58)127-45-38(18-80-87-73)121-67(59(114-31(9)100)52(45)108-25(3)94)129-47-40(20-82-89-75)123-69(61(116-33(11)102)54(47)110-27(5)96)131-49-42(22-84-91-77)125-71(63(118-35(13)104)56(49)112-29(7)98)133-50-43(23-85-92-78)126-70(64(119-36(14)105)57(50)113-30(8)99)132-48-41(21-83-90-76)124-68(62(117-34(12)103)55(48)111-28(6)97)130-46-39(19-81-88-74)122-66(128-44)60(115-32(10)101)53(46)109-26(4)95/h1,37-71H,16-23H2,2-14H3/t37-,38-,39-,40-,41-,42-,43-,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-/m1/s1
InChi Key: XLIWKXXBNUZLNJ-JVQBNIDXSA-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(=O)C)OC(=O)C)O[C@@H]3CN=N#N)OC(=O)C)OC(=O)C)O[C@@H]1CN=N#N)OCC#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-propargyl-β-cyclodextrin
per-O-acetyl-per-6-azido-per-6-deoxy-2I-O-propargyl-β-cyclodextrin