Details of Cephalomannine
| IUPAC | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| Canonical Smiles | C/C=C(C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O |
| Inchi | DBXFAPJCZABTDR-WBYYIXQISA-N |
| PubChem ID | 6436208 |
| Smiles | CCC(C)C(=O)NC(C(=O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)C(OC(C)=O)=C(C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)c1ccccc1 |
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| Class | Taxane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |