Details of Cafestol
| IUPAC | (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol |
| Canonical Smiles | C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3 |
| Inchi | DNJVYWXIDISQRD-HWUKTEKMSA-N |
| PubChem ID | 108052 |
| Smiles | C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%5BC%40%40%5D12CCc3occc3%5BC%40H%5D1CC%5BC%40%40%5D13C%5BC%40%40H%5D%28CC%5BC%40H%5D12%29%5BC%40%40%5D%28O%29%28CO%29C3/file?format=sdf&get3d=True -- C%5BC%40%40%5D12CCc3occc3%5BC%40H%5D1CC%5BC%40%40%5D13C%5BC%40%40H%5D%28CC%5BC%40H%5D12%29%5BC%40%40%5D%28O%29%28CO%29C3 could not be loaded.
| Class | Norkaurane diterpenoids, Norkaurane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |