TIRUCALLA-7-21-DIEN-3-BETA-OL

Structure

2D structure of TIRUCALLA-7-21-DIEN-3-BETA-OL
2D structure
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3D model

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

Names and identifiers

Name

TIRUCALLA-7-21-DIEN-3-BETA-OL

IUPAC name

(3S,5R,10R,13S,14S)-17-((E)-3,6-dimethylhept-2-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

SMILES

C\C(=C(/CCC(C)C)C)C1CC[C@]2([C@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

General information

Molecular formula

C31H52O

Molecular weight

440.76 g/mol

Monoisotopic mass

440.4018 Da

Classification

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

Plants with the compound

Plant Plant part Amount Reference
Picris hieracioides L. subsp. hieracioides root -
Shiojima, K., Masuda, K., Suzuki, H., Lin, T., Ooishi, Y., Ageta, H. (1995). Cokmposite constituents: forty-two triterpenoids including eight novel compounds isolated from Picris hieracioides subsp.japonica. Chem Pharm Bull, 43(10), 1634-1639 doi:10.1248/cpb.43.1634