HELIANGOLIDE,3-BETA-ACETOXY-8-BETA-HYDROXY

Structure

2D structure of HELIANGOLIDE,3-BETA-ACETOXY-8-BETA-HYDROXY
2D structure
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3D model

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

Names and identifiers

Name

HELIANGOLIDE,3-BETA-ACETOXY-8-BETA-HYDROXY

IUPAC name

(3aR,4R,6Z,9S,10E,11aR)-4-hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl acetate

SMILES

C1=C(C[C@H]([C@@H]2[C@@H](/C(=C(/[C@H](C1)OC(C)=O)C)[H])OC(C2=C)=O)O)C

General information

Molecular formula

C17H22O5

Molecular weight

306.36 g/mol

Monoisotopic mass

306.1467 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Eupatorium cannabinum L. subsp. cannabinum aerial parts -
Zdero, C., Bohlmann, F. (1987). Eupatoriopicrin 19-o-linolenoate and other constituents from Eupatorium cannabium. Planta Med, 53(2), 169-172 doi:10.1055/s-2006-962665