Details of Caccigenin
| IUPAC | (3S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-3,10,11-trihydroxy-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]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC([C@H](C5)O)(C)C)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C |
| Inchi | ADFYMFQYUQYEQP-MUGVOSBHSA-N |
| PubChem ID | 21594227 |
| Smiles | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)C[C@@H]1O |
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| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |