SHINJULACTONE-C

Structure

2D structure of SHINJULACTONE-C
2D structure
3D model not available
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11970132

Names and identifiers

Name

SHINJULACTONE-C

IUPAC name

(2R,2aR,2a1R,6aR,10R,10aS,10bS)-2,2a-dihydroxy-10a-(hydroxymethyl)-2a1,5,11-trimethyl-2a,2a1,6,6a,9,10,10a,10b-octahydro-2,5a,10-(epimethanetriyl)indeno[1,7-fg]chromene-1,3,8(2H)-trione

SMILES

CC1=CC(=O)[C@]2([C@]3(C14C[C@@H]5[C@@]6([C@@H]3C(=O)[C@]2(C4([C@@H]6CC(=O)O5)C)O)CO)C)O

General information

Molecular formula

C20H22O7

Molecular weight

374.39 g/mol

Monoisotopic mass

374.1366 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Ailanthus altissima (Mill.) Swingle root 10 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.