Details of Aleurinin C
| IUPAC | (1R,4R,5S,23R,25R,26R,32R)-10,11,12,15,16,17,32,35,36,40,40-undecahydroxy-25-(2-oxopropoxy)-3,6,21,24,27,33-hexaoxaoctacyclo[30.7.1.01,29.04,23.05,26.08,13.014,19.034,39]tetraconta-8,10,12,14,16,18,29,34(39),35,37-decaene-2,7,20,28,31-pentone |
| Canonical Smiles | CC(=O)CO[C@H]1[C@H]2[C@@H]3[C@@H]([C@H](O1)COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)[C@@]67C8=C(C(=C(C=C8)O)O)O[C@](C6(O)O)(C(=O)C=C7C(=O)O2)O |
| Inchi | DFYXJCUWKFCCAO-VXSVGVEHSA-N |
| PubChem ID | 102268768 |
| Smiles | CC(=O)CO[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]3[C@@H]2OC(=O)[C@@]24C(=CC(=O)[C@](O)(Oc5c2ccc(O)c5O)C4(O)O)C(=O)O[C@H]31 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28%3DO%29CO%5BC%40%40H%5D1O%5BC%40%40H%5D2COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29O%5BC%40H%5D3%5BC%40%40H%5D2OC%28%3DO%29%5BC%40%40%5D24C%28%3DCC%28%3DO%29%5BC%40%5D%28O%29%28Oc5c2ccc%28O%29c5O%29C4%28O%29O%29C%28%3DO%29O%5BC%40H%5D31/file?format=sdf&get3d=True -- CC%28%3DO%29CO%5BC%40%40H%5D1O%5BC%40%40H%5D2COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3-c3c%28cc%28O%29c%28O%29c3O%29C%28%3DO%29O%5BC%40H%5D3%5BC%40%40H%5D2OC%28%3DO%29%5BC%40%40%5D24C%28%3DCC%28%3DO%29%5BC%40%5D%28O%29%28Oc5c2ccc%28O%29c5O%29C4%28O%29O%29C%28%3DO%29O%5BC%40H%5D31 could not be loaded.
| Class | Gallotannins |
| Super Class | Phenolic acids (C6-C1) |
| Pathways | Shikimates and Phenylpropanoids |