DAUCOSTEROL-6'-O-PALMITATE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 9832350
Name
DAUCOSTEROL-6'-O-PALMITATE
IUPAC name
((2R,3S,4S,5R,6R)-6-(((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl palmitate
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(CCCCCCCCCCCCCCC)=O)O)O)O)C)C)C(C)C
Molecular formula
C51H90O7
Molecular weight
815.27 g/mol
Monoisotopic mass
814.6687 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Linaria vulgaris Mill. subsp. vulgaris | - | - |
Hua, H., Li, X., Zhang, H.Q. (2000). Steroids from Linaria vulgaris Mill. Shenyang Yaoxueyuan Xuebao, 17(1), 40-42
|
| Urtica dioica L. | root | 6 ppm |
Jim Duke's personal files.
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