7-ACETOXYMARRUBIIN

Structure

2D structure of 7-ACETOXYMARRUBIIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21596485

Names and identifiers

Name

7-ACETOXYMARRUBIIN

IUPAC name

(2aS,2a1R,5aS,6R,7R,8S,8aS)-6-(2-(furan-3-yl)ethyl)-6-hydroxy-2a,5a,7-trimethyl-2-oxodecahydro-2H-naphtho[1,8-bc]furan-8-yl acetate

SMILES

C[C@@H]1[C@@H]([C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C)OC(=O)C

General information

Molecular formula

C22H30O6

Molecular weight

390.48 g/mol

Monoisotopic mass

390.2042 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Ballota nigra L. subsp. meridionalis (Bég.) Bég. - -
Williamson, E. M. and Evans, F. J., Potter's New Cyclopaedia of Botanical Drugs and Preparations, Revised Ed., Saffron Walden, the C. W. Daniel Co., Ltd., Essex UK, 362 pp, 1988, reprint 1989.