Details of ferulic acid ester
| IUPAC | [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical Smiles | CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C |
| Inchi | FODTZLFLDFKIQH-CYEBEXFSSA-N |
| PubChem ID | 56840602 |
| Smiles | COc1cc(C=CC(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H](C(C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C%3DCC%28%3DO%29O%5BC%40H%5D2CC%5BC%40%5D34C%5BC%40%5D35CC%5BC%40%5D3%28C%29%5BC%40%40H%5D%28C%28C%29CCC%3DC%28C%29C%29CC%5BC%40%40%5D3%28C%29%5BC%40%40H%5D5CC%5BC%40H%5D4C2%28C%29C%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C%3DCC%28%3DO%29O%5BC%40H%5D2CC%5BC%40%5D34C%5BC%40%5D35CC%5BC%40%5D3%28C%29%5BC%40%40H%5D%28C%28C%29CCC%3DC%28C%29C%29CC%5BC%40%40%5D3%28C%29%5BC%40%40H%5D5CC%5BC%40H%5D4C2%28C%29C%29ccc1O could not be loaded.
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