HELENIEN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281240
Name
HELENIEN
IUPAC name
(R)-3,5,5-trimethyl-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((1R,4R)-2,6,6-trimethyl-4-(palmitoyloxy)cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohex-3-en-1-yl palmitate
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)/C)/C)C
Molecular formula
C72H116O4
Molecular weight
1,045.72 g/mol
Monoisotopic mass
1,044.8874 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Arnica montana L. subsp. montana | flower | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|