Details of Lanceotoxin B
| IUPAC | [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl] acetate |
| Canonical Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)OC(=O)C)O)C6=COC(=O)C=C6)C)C=O)O)O)O |
| Inchi | IKNIMVNUBXHADS-YGGZPGJKSA-N |
| PubChem ID | 441864 |
| Smiles | CC(=O)O[C@]12CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]1(C=O)CC[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2 |
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| Class | Bufadienolides |
| Super Class | Steroids |
| Pathways | Terpenoids |