LUPEOL-ACETATE

Structure

2D structure of LUPEOL-ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 92157

Names and identifiers

Name

LUPEOL-ACETATE

IUPAC name

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate

SMILES

CC(=C)[C@@H]1CC[C@]5([C@H]1[C@H]4CC[C@@H]3[C@]2(CC[C@@H](C([C@@H]2CC[C@]3([C@@]4(CC5)C)C)(C)C)OC(C)=O)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
Arctium lappa L. - -
Jim Duke's personal files.
Euphorbia maculata L. aerial parts -
Matsunaga, S., Tanaka, R., Akagi, M. (1988). Triterpenoids from Euphorbia maculata. Phytochemistry, 27(2), 535-537 doi:10.1016/0031-9422(88)83136-4
Euphorbia peplus L. stem -
Hemmers, H., Gulz, P.G., Marner, F.J. (1988). Triterpenoids in epicuticular waxes of three european Euphorbia species. Z Naturforsch Ser C, 43(11/12), 799-805 doi:10.1515/znc-1988-11-1202
Helminthotheca echioides (L.) Holub aerial parts -
Bohlmann, F., Zdero, C., Robinson, H., King, R.M. (1981). Naturally occurring terpene derivatives. part 361. sesquiterpene lactones from Picris echioides. Phytochemistry, 20, 2029-2030
Picris hieracioides L. subsp. hieracioides aerial parts -
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
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