3-ALPHA-ACETOXY-ISOCUPRESSIC-ACID

Structure

2D structure of 3-ALPHA-ACETOXY-ISOCUPRESSIC-ACID
2D structure
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3D model

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

Names and identifiers

Name

3-ALPHA-ACETOXY-ISOCUPRESSIC-ACID

IUPAC name

(1S,4aR,5S,8aR)-3-acetoxy-5-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid

SMILES

O=C(O)[C@]1(CC(C[C@@]2([C@H](C(=C)CC[C@@H]12)CCC(=CCO)C)C)OC(C)=O)C

General information

Molecular formula

C22H34O5

Molecular weight

378.51 g/mol

Monoisotopic mass

378.2406 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Juniperus communis L. leaf 713 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.