OLEAN-12-ENE-2-BETA-3-BETA-22-ALPHA-TRIOL

Structure

2D structure of OLEAN-12-ENE-2-BETA-3-BETA-22-ALPHA-TRIOL
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

OLEAN-12-ENE-2-BETA-3-BETA-22-ALPHA-TRIOL

IUPAC name

(3R,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-2,3,9-triol

SMILES

C[C@]12CC([C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5O)(C)C)C)C)C)(C)C)O)O

General information

Molecular formula

C30H50O3

Molecular weight

458.73 g/mol

Monoisotopic mass

458.3760 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Picris hieracioides L. subsp. hieracioides root -
Shiojima, K., Suzuki, H., Ageta, H. (1995). Composite constituents: three new triterpene triols isolated from fresh roots of Picris hieracioides subsp. japonica. Chem Pharm Bull, 43(10), 1640-1642 doi:10.1248/cpb.43.1640