Details of Beesioside I
| IUPAC | [(1S,2R,3R,4S,5S,6R,9R,11S,14R,16S,19S,22S)-4-acetyloxy-22-(2-hydroxypropan-2-yl)-1,5,10,10-tetramethyl-11-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-21,25-dioxaheptacyclo[20.2.1.02,19.05,19.06,16.09,14.014,16]pentacosan-3-yl] acetate |
| Canonical Smiles | CC(=O)O[C@@H]1[C@@H]2[C@@]3(CC[C@@](O3)(OC[C@@]24CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@@H]1OC(=O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C(C)(C)O)C |
| Inchi | UZSZTNKGIQMEOL-QGODIXMOSA-N |
| PubChem ID | 15908521 |
| Smiles | CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@]3(C)CC[C@](C(C)(C)O)(OC[C@@]24CC[C@@]25C[C@@]26CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]6CC[C@H]5[C@]14C)O3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28%3DO%29O%5BC%40%40H%5D1%5BC%40H%5D%28OC%28C%29%3DO%29%5BC%40%40H%5D2%5BC%40%5D3%28C%29CC%5BC%40%5D%28C%28C%29%28C%29O%29%28OC%5BC%40%40%5D24CC%5BC%40%40%5D25C%5BC%40%40%5D26CC%5BC%40H%5D%28O%5BC%40%40H%5D2OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29C%28C%29%28C%29%5BC%40%40H%5D6CC%5BC%40H%5D5%5BC%40%5D14C%29O3/file?format=sdf&get3d=True -- CC%28%3DO%29O%5BC%40%40H%5D1%5BC%40H%5D%28OC%28C%29%3DO%29%5BC%40%40H%5D2%5BC%40%5D3%28C%29CC%5BC%40%5D%28C%28C%29%28C%29O%29%28OC%5BC%40%40%5D24CC%5BC%40%40%5D25C%5BC%40%40%5D26CC%5BC%40H%5D%28O%5BC%40%40H%5D2OC%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D2O%29C%28C%29%28C%29%5BC%40%40H%5D6CC%5BC%40H%5D5%5BC%40%5D14C%29O3 could not be loaded.
| Class | Cycloartane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |