3-ACETYLALEURITOLIC-ACID

Structure

2D structure of 3-ACETYLALEURITOLIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 161616

Names and identifiers

Name

3-ACETYLALEURITOLIC-ACID

IUPAC name

(4aS,6bR,8aR,10S,12aR,12bR,14aS,14bS)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid

SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@@H]5CC(CC[C@@]5(CC=C4[C@@]3(CC[C@H]2C1(C)C)C)C(=O)O)(C)C)C)C

General information

Molecular formula

C32H50O4

Molecular weight

498.75 g/mol

Monoisotopic mass

498.3709 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Phytolacca americana L. seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.