G毒毛旋花苷(630-60-4)质谱(MS)
分子式:C29H44O12
分子量: 584.66
InChI:InChI=1/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/s3
InChIKey: LPMXVESGRSUGHW-LOFMFYHVNA-N
Smiles:C([C@]12[C@@H](C[C@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]1(CC[C@@]1([H])[C@]3(CC[C@H](C4=CC(=O)OC4)[C@@]3(C)C[C@@H](O)[C@]21[H])O)O)O)O |&1:1,2,4,6,9,11,13,15,18,21,23,26,33,36,38,r|