CAROTA-1,4-BETA-OXIDE

Structure

2D structure of CAROTA-1,4-BETA-OXIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 154496312

Names and identifiers

Name

CAROTA-1,4-BETA-OXIDE

IUPAC name

(3R,3aS,6R,8aR)-3-isopropyl-6,8a-dimethyloctahydro-1H-3a,6-epoxyazulene

SMILES

[C@@]12([C@]3(CC[C@@](CC1)(O3)C)[C@H](CC2)C(C)C)C

General information

Molecular formula

C15H26O

Molecular weight

222.37 g/mol

Monoisotopic mass

222.1984 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. seed 0-1 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.