2-BETA-ETHOXY-6-O-ISOBUTYRYL-2,3-DIHYDROHELENALIN

Structure

2D structure of 2-BETA-ETHOXY-6-O-ISOBUTYRYL-2,3-DIHYDROHELENALIN
2D structure
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3D model

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

Names and identifiers

Name

2-BETA-ETHOXY-6-O-ISOBUTYRYL-2,3-DIHYDROHELENALIN

IUPAC name

(3aR,4S,4aR,7aS,8R,9aR)-6-ethoxy-4a,8-dimethyl-3-methylene-2,5-dioxododecahydroazuleno[6,5-b]furan-4-yl isobutyrate

SMILES

C[C@@H]1C[C@@H]3[C@H]([C@@H]([C@]2([C@H]1CC(C2=O)OCC)C)OC(C(C)C)=O)C(=C)C(=O)O3

General information

Molecular formula

C21H30O6

Molecular weight

378.47 g/mol

Monoisotopic mass

378.2042 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

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