K-毒毛旋花子甙(33279-57-1)红外图谱(IR2)
分子式:C42H64O19
分子量: 872.95
InChI:InChI=1/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42+/s3
InChIKey: GILGYKHFZXQALF-YAJJFQASNA-N
Smiles:[C@]12(C=O)CC[C@H](O[C@@H]3O[C@@H]([C@@H](O[C@H]4[C@H](O)[C@H]([C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H]([C@H](O)[C@@H](CO)O5)O)O4)O)[C@@H](OC)C3)C)C[C@@]1(O)CC[C@@]1([H])[C@@]3(O)CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@]21[H] |&1:0,5,7,9,10,12,13,15,16,18,21,22,24,25,27,34,40,44,46,50,57,61,r|