ALPHA-AMYRIN-ACETATE

Structure

2D structure of ALPHA-AMYRIN-ACETATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 73170

Names and identifiers

Name

ALPHA-AMYRIN-ACETATE

IUPAC name

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

SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C

General information

Molecular formula

C30H50O

Molecular weight

426.73 g/mol

Monoisotopic mass

426.3862 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.
Artemisia vulgaris L. - -
J.S. Glasby Dict.Pls Containing 2ndary Metabolite. 1991.
Arundo donax L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
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