BALLONIGRIN

Structure

2D structure of BALLONIGRIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21596483

Names and identifiers

Name

BALLONIGRIN

IUPAC name

(2aS,2a1R,5aS,8aS)-6-(2-(furan-3-yl)ethyl)-2a,5a,7-trimethyl-2a1,3,4,5,5a,8a-hexahydro-2H-naphtho[1,8-bc]furan-2,8(2aH)-dione

SMILES

CC1=C([C@]2(CCC[C@]3([C@@H]2[C@@H](C1=O)OC3=O)C)C)CCC4=COC=C4

General information

Molecular formula

C20H24O4

Molecular weight

328.41 g/mol

Monoisotopic mass

328.1675 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.