Details of Wilfoside C1G
| IUPAC | [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate |
| Canonical Smiles | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@](CC[C@@]5([C@@]4(CC=C3C2)O)O)(C(=O)C)O)C)OC(=O)/C=C(C)/C(C)C)C)OC)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC)OC)OC |
| Inchi | SVKCWFDZGPCWRM-OIWFFBMYSA-N |
| PubChem ID | 76333203 |
| Smiles | CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)C=C(C)C(C)C)[C@]4(C)[C@@](O)(C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@@H](C)O1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CO%5BC%40H%5D1C%5BC%40H%5D%28O%5BC%40H%5D2%5BC%40%40H%5D%28OC%29C%5BC%40H%5D%28O%5BC%40H%5D3CC%5BC%40%40%5D4%28C%29C%28%3DCC%5BC%40%5D5%28O%29%5BC%40%40H%5D4C%5BC%40%40H%5D%28OC%28%3DO%29C%3DC%28C%29C%28C%29C%29%5BC%40%5D4%28C%29%5BC%40%40%5D%28O%29%28C%28C%29%3DO%29CC%5BC%40%5D54O%29C3%29O%5BC%40%40H%5D2C%29O%5BC%40%40H%5D%28C%29%5BC%40H%5D1O%5BC%40H%5D1C%5BC%40H%5D%28OC%29%5BC%40H%5D%28O%5BC%40H%5D2C%5BC%40%40H%5D%28OC%29%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29%5BC%40H%5D%28C%29O2%29%5BC%40%40H%5D%28C%29O1/file?format=sdf&get3d=True -- CO%5BC%40H%5D1C%5BC%40H%5D%28O%5BC%40H%5D2%5BC%40%40H%5D%28OC%29C%5BC%40H%5D%28O%5BC%40H%5D3CC%5BC%40%40%5D4%28C%29C%28%3DCC%5BC%40%5D5%28O%29%5BC%40%40H%5D4C%5BC%40%40H%5D%28OC%28%3DO%29C%3DC%28C%29C%28C%29C%29%5BC%40%5D4%28C%29%5BC%40%40%5D%28O%29%28C%28C%29%3DO%29CC%5BC%40%5D54O%29C3%29O%5BC%40%40H%5D2C%29O%5BC%40%40H%5D%28C%29%5BC%40H%5D1O%5BC%40H%5D1C%5BC%40H%5D%28OC%29%5BC%40H%5D%28O%5BC%40H%5D2C%5BC%40%40H%5D%28OC%29%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29%5BC%40H%5D%28C%29O2%29%5BC%40%40H%5D%28C%29O1 could not be loaded.
| Class | Pregnane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |