Details of Baccatin III
| IUPAC | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| Canonical Smiles | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C |
| Inchi | OVMSOCFBDVBLFW-VHLOTGQHSA-N |
| PubChem ID | 65366 |
| Smiles | CC(=O)OC1=C2C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C1=O)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)C2(C)C |
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| Class | Taxane diterpenoids, Tetracyclic diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |