Details of Scutegalin B
| IUPAC | [(1R,2R,3R,4S,5R,6R,8R,10R,11R)-2-acetyloxy-3-hydroxy-5-[2-[(2R,3S)-2-hydroxyoxolan-3-yl]ethyl]-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2'-oxirane]-10-yl] (E)-2-methylbut-2-enoate |
| Canonical Smiles | C/C=C(C)/C(=O)O[C@@H]1[C@@]23[C@H](C[C@@H](O1)C[C@]24CO4)[C@@]([C@@H]([C@H]([C@@H]3OC(=O)C)O)C)(C)CC[C@H]5CCO[C@H]5O |
| Inchi | YBXJRCICJBWNDE-XSBFJPEBSA-N |
| PubChem ID | 44558986 |
| Smiles | CC=C(C)C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)(CC[C@H]4CCO[C@H]4O)[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@]13[C@@]1(CO1)C2 |
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| Class | Colensane and Clerodane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |
