(1R,4S,7S,8R,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,51R,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,51,55,56,58-decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.2(1)(1),(1)?.2(2)(2),(2)?.1(3)?,(3)?.0(1),??.0?,?.0(2)?,(3)(2).0(3)?,?(2).0??,?(3)]octapentacont-44-ene-2,16,20-trione

化合物标识与属性

CAS

115810-12-3

PubChem CID

137797057

SMILES

C[C@H]1[C@H]2[C@H]([C@H]([C@@H](O1)O[C@@H]3[C@@H]([C@H](CO[C@H]3OC(=O)[C@]45CCC(C[C@H]4C6=CC[C@H]7[C@]([C@@]6(C[C@H]5O)C)(CC[C@@H]8[C@@]7(C[C@@H]([C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)OC(=O)C[C@](CC(=O)O2)(C)O)O)O)O)C)C)(C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O

Canonical SMILES

C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]1[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O