Details of Lolitrem B
| IUPAC | (1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one |
| Canonical Smiles | CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8C[C@@H]3[C@@H](C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C)C |
| Inchi | HGBZMCXKHKZYBF-WZGHVFPCSA-N |
| PubChem ID | 11947793 |
| Smiles | CC(C)=C[C@H]1O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5(C)c6[nH]c7ccc8c(c7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C[C@@H]2C(C8=O)C(C)(C)OC2(C)C)C(C)(C)O1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29%3DC%5BC%40H%5D1O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40H%5D3CC%5BC%40%5D4%28C%29%5BC%40%40%5D5%28C%29c6%5BnH%5Dc7ccc8c%28c7c6C%5BC%40%40H%5D5CC%5BC%40%40%5D4%28O%29%5BC%40%5D34O%5BC%40H%5D24%29C%5BC%40%40H%5D2C%28C8%3DO%29C%28C%29%28C%29OC2%28C%29C%29C%28C%29%28C%29O1/file?format=sdf&get3d=True -- CC%28C%29%3DC%5BC%40H%5D1O%5BC%40%40H%5D2%5BC%40H%5D%28O%5BC%40H%5D3CC%5BC%40%5D4%28C%29%5BC%40%40%5D5%28C%29c6%5BnH%5Dc7ccc8c%28c7c6C%5BC%40%40H%5D5CC%5BC%40%40%5D4%28O%29%5BC%40%5D34O%5BC%40H%5D24%29C%5BC%40%40H%5D2C%28C8%3DO%29C%28C%29%28C%29OC2%28C%29C%29C%28C%29%28C%29O1 could not be loaded.
| Class | Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems) |
| Super Class | Terpenoids |
| Pathways | Alkaloids |