BETA-ISOCOMENE

Structure

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

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10910652

Names and identifiers

Name

BETA-ISOCOMENE

IUPAC name

(1R,3aS,5aS,8aR)-1,3a,5a-trimethyl-4-methylenedecahydrocyclopenta[c]pentalene

SMILES

C1C[C@@]23[C@@](C1)(CC([C@@]2(CC[C@H]3C)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
Artemisia annua L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.