Details of TAXUSPINE-S
| IUPAC | [(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-5-(hydroxymethyl)-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] (E)-3-phenylprop-2-enoate |
| Canonical Smiles | CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)CO)OC(=O)C=CC5=CC=CC=C5 |
| Inchi | MQEGHHBOQKLTGK-OCWOEGCQSA-N |
| PubChem ID | 44351838 |
| Smiles | C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(CO)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DC1C%28OC%28%3DO%29C%3DCc2ccccc2%29CC%28OC%28C%29%3DO%29C2%28CO%29C%28OC%28C%29%3DO%29C%28OC%28C%29%3DO%29C3%28O%29C4%28C%29OCC3%28C%29C%28CC4%3DO%29C%28OC%28C%29%3DO%29C12/file?format=sdf&get3d=True -- C%3DC1C%28OC%28%3DO%29C%3DCc2ccccc2%29CC%28OC%28C%29%3DO%29C2%28CO%29C%28OC%28C%29%3DO%29C%28OC%28C%29%3DO%29C3%28O%29C4%28C%29OCC3%28C%29C%28CC4%3DO%29C%28OC%28C%29%3DO%29C12 could not be loaded.
| Class | |
| Super Class | |
| Pathways |
