GAMMACER-16-EN-3-BETA-OL ACETATE

Structure

2D structure of GAMMACER-16-EN-3-BETA-OL ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14432119

Names and identifiers

Name

GAMMACER-16-EN-3-BETA-OL ACETATE

IUPAC name

(3S,4aR,6aR,6bR,12aR,12bS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate

SMILES

C[C@]12CC[C@H](OC(C)=O)C([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC=C5[C@@]4(CCCC5(C)C)C)C)C)(C)C

General information

Molecular formula

C32H52O2

Molecular weight

468.77 g/mol

Monoisotopic mass

468.3967 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., 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