Details of Delelatine
| IUPAC | [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CC(C(C(C7C(CC6(C5(CC4O)C)C)O)(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(CO1)(CO)O)O)O |
| Inchi | KGASGDAHIPOLIY-WAGVCULYSA-N |
| PubChem ID | 101632305 |
| Smiles | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1OC%28OC2C%28OC%28%3DO%29C34CCC%28C%29%28C%29CC3C3%3DCCC5C6%28C%29CC%28O%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C%28C%29%28CO%29C6C%28O%29CC5%28C%29C3%28C%29CC4O%29OCC%28O%29C2O%29C%28O%29C%28O%29C1OC1OCC%28O%29C%28OC2OCC%28O%29%28CO%29C2O%29C1O/file?format=sdf&get3d=True -- CC1OC%28OC2C%28OC%28%3DO%29C34CCC%28C%29%28C%29CC3C3%3DCCC5C6%28C%29CC%28O%29C%28OC7OC%28CO%29C%28O%29C%28O%29C7O%29C%28C%29%28CO%29C6C%28O%29CC5%28C%29C3%28C%29CC4O%29OCC%28O%29C2O%29C%28O%29C%28O%29C1OC1OCC%28O%29C%28OC2OCC%28O%29%28CO%29C2O%29C1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |