Details of Scammonin viii
| IUPAC | [30-[3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] 2-methylbutanoate |
| Canonical Smiles | CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)CO)OC(=O)/C(=C/C)/C)O)O |
| Inchi | ATAAFPJNNNHRBG-YCPBAFNGSA-N |
| PubChem ID | 6450151 |
| Smiles | CC=C(C)C(=O)OC1C(CO)OC(OC2C(C)OC3OC4C(OC(CO)C(O)C4O)OC4C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)CC)OC(C)C(O)C4O)C(O)C1O |
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| Class | Resin glycosides |
| Super Class | Fatty acyls |
| Pathways | Fatty acids |