BETA-AMYRIN-PALMITATE

Structure

2D structure of BETA-AMYRIN-PALMITATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 13915599

Names and identifiers

Name

BETA-AMYRIN-PALMITATE

IUPAC name

(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl palmitate

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C

General information

Molecular formula

C46H80O2

Molecular weight

665.14 g/mol

Monoisotopic mass

664.6158 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Sambucus nigra L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. leaf -
Leung, A. Y. and Foster, S. 1995. Encyclopedia of Common Natural Ingredients 2nd Ed. John Wiley & Sons, New York. 649 pp.