Details of Scabioside C
| IUPAC | (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Canonical Smiles | C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O |
| Inchi | KAYMPWXMHIUNGC-XFZWHKAKSA-N |
| PubChem ID | 11556805 |
| Smiles | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%28C%29CC%5BC%40%5D2%28C%28%3DO%29O%29CC%5BC%40%5D3%28C%29C%28%3DCC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CC%5BC%40H%5D%28O%5BC%40%40H%5D6OC%5BC%40H%5D%28O%5BC%40%40H%5D7O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D7O%29%5BC%40H%5D%28O%29%5BC%40H%5D6O%29%5BC%40%40%5D%28C%29%28CO%29%5BC%40%40H%5D5CC%5BC%40%5D43C%29%5BC%40%40H%5D2C1/file?format=sdf&get3d=True -- CC1%28C%29CC%5BC%40%5D2%28C%28%3DO%29O%29CC%5BC%40%5D3%28C%29C%28%3DCC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CC%5BC%40H%5D%28O%5BC%40%40H%5D6OC%5BC%40H%5D%28O%5BC%40%40H%5D7O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D7O%29%5BC%40H%5D%28O%29%5BC%40H%5D6O%29%5BC%40%40%5D%28C%29%28CO%29%5BC%40%40H%5D5CC%5BC%40%5D43C%29%5BC%40%40H%5D2C1 could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |