ALPHA-PATCHOULENE

Structure

2D structure of ALPHA-PATCHOULENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5320423

Names and identifiers

Name

ALPHA-PATCHOULENE

IUPAC name

(8aS)-1,4,9,9-tetramethyl-2,3,6,7,8,8a-hexahydro-1H-3a,7-methanoazulene

SMILES

CC1CCC23[C@H]1CC(C2(C)C)CC=C3C

General information

Molecular formula

C15H24

Molecular weight

204.36 g/mol

Monoisotopic mass

204.1878 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium - 90 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.