Details of Thevetioside B
| IUPAC | [(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,17R,18S,19S,20S)-18,19-diacetyloxy-6-(furan-3-yl)-3-(1-hydroxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-9,20-bis(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate |
| Canonical Smiles | CC(C)C(=C1C2C(C(C(C34C25C(C6(C(C7(CC6(C3(C7CC(=O)OC)C)OC(O4)(O5)C)C)OC(=O)C)OC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)(C(OC1=O)C8=COC=C8)C)O |
| Inchi | NGZDHNRVNZXAGW-BGLBAAERSA-N |
| PubChem ID | 101593086 |
| Smiles | COC1C(O)OC(CO)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC1C%28O%29OC%28CO%29C1O/file?format=sdf&get3d=True -- COC1C%28O%29OC%28CO%29C1O could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |
