INEUPATOROLIDE,6-ALPHA-HYDROXY: 9-DEACYL: 9-O-ANGELOYL:

Structure

2D structure of INEUPATOROLIDE,6-ALPHA-HYDROXY: 9-DEACYL: 9-O-ANGELOYL:
2D structure
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3D model

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

Names and identifiers

Name

INEUPATOROLIDE,6-ALPHA-HYDROXY: 9-DEACYL: 9-O-ANGELOYL:

IUPAC name

(3aS,6R,8S,10S,11R,11aS)-8,10-dihydroxy-6,10-dimethyl-3-methylene-2,5-dioxododecahydrocyclodeca[b]furan-11-yl (Z)-2-methylbut-2-enoate

SMILES

C(=C(/C(=O)O[C@@H]1[C@@H]2[C@@H](CC(=O)[C@@H](C[C@@H](C[C@]1(C)O)O)C)C(=C)C(=O)O2)C)(/C)[H]

General information

Molecular formula

C20H28O7

Molecular weight

380.44 g/mol

Monoisotopic mass

380.1835 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Dittrichia viscosa (L.) Greuter subsp. viscosa root -
Bohlmann, F., Gupta, R.K. (1982). Naturally occurring terpene derivatives. 434. ineupatorolide-like sesquiterpene lactones from Dittrichia viscosa. Phytochemistry, 21, 1443-1445