BETA-PATCHOULENE

Structure

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

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101731

Names and identifiers

Name

BETA-PATCHOULENE

IUPAC name

1,4,9,9-tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene

SMILES

CC1CCC2=C1CC3CCC2(C3(C)C)C

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
Bellis perennis L. flower, essential oil -
Avato, P., Tava, A. (1995). Acetylenes and terpenoids of Bellis perennis. Phytochemistry, 40(1), 141-147 doi:10.1016/0031-9422(95)00183-8
Bellis perennis L. leaf, essential oil -
Avato, P., Tava, A. (1995). Acetylenes and terpenoids of Bellis perennis. Phytochemistry, 40(1), 141-147 doi:10.1016/0031-9422(95)00183-8