Details of Chasmanthinine
| IUPAC | [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] (E)-3-phenylprop-2-enoate |
| Canonical Smiles | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)/C=C/C7=CC=CC=C7)O)OC)OC(=O)C)OC)OC)COC |
| Inchi | TUDVGRLJFDPGNJ-VGAWPALCSA-N |
| PubChem ID | 101600178 |
| Smiles | CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)/C=C/c5ccccc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCN1C%5BC%40%5D2%28COC%29CC%5BC%40H%5D%28OC%29%5BC%40%40%5D34%5BC%40%40H%5D5C%5BC%40%5D6%28O%29%5BC%40%40H%5D%28OC%29C%5BC%40%40%5D%28OC%28C%29%3DO%29%28%5BC%40H%5D5%5BC%40H%5D6OC%28%3DO%29/C%3DC/c5ccccc5%29%5BC%40%40H%5D%28%5BC%40H%5D%28OC%29%5BC%40H%5D23%29%5BC%40%40H%5D14/file?format=sdf&get3d=True -- CCN1C%5BC%40%5D2%28COC%29CC%5BC%40H%5D%28OC%29%5BC%40%40%5D34%5BC%40%40H%5D5C%5BC%40%5D6%28O%29%5BC%40%40H%5D%28OC%29C%5BC%40%40%5D%28OC%28C%29%3DO%29%28%5BC%40H%5D5%5BC%40H%5D6OC%28%3DO%29/C%3DC/c5ccccc5%29%5BC%40%40H%5D%28%5BC%40H%5D%28OC%29%5BC%40H%5D23%29%5BC%40%40H%5D14 could not be loaded.
| Class | Pseudoalkaloids,Terpenoid alkaloids |
| Super Class | Terpenoids |
| Pathways | Alkaloids |
