Details of Heteroclitin E
| IUPAC | [(1S,12R,13R,14S,15R)-15-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (Z)-2-methylbut-2-enoate |
| Canonical Smiles | C/C=C(/C)C(=O)O[C@@H]1[C@@H]([C@@H]([C@H](C2=CC(=C(C(=O)[C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)O)C)C |
| Inchi | XUIUDMCZUMRZDC-ZHOMHHPZSA-N |
| PubChem ID | 15929161 |
| Smiles | CC=C(C)C(=O)O[C@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)CC2C(=O)C(C)[C@H]1C)OCO3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%3DC%28C%29C%28%3DO%29O%5BC%40H%5D1c2cc3c%28c4c2%5BC%40%40%5D2%28CO4%29C%28%3DO%29C%28OC%29%3DC%28OC%29CC2C%28%3DO%29C%28C%29%5BC%40H%5D1C%29OCO3/file?format=sdf&get3d=True -- CC%3DC%28C%29C%28%3DO%29O%5BC%40H%5D1c2cc3c%28c4c2%5BC%40%40%5D2%28CO4%29C%28%3DO%29C%28OC%29%3DC%28OC%29CC2C%28%3DO%29C%28C%29%5BC%40H%5D1C%29OCO3 could not be loaded.
| Class | Dibenzocyclooctadienes lignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |
