ABIETIC ACID,NEO

Structure

2D structure of ABIETIC ACID,NEO
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 221118

Names and identifiers

Name

ABIETIC ACID,NEO

IUPAC name

(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid

SMILES

CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C

General information

Molecular formula

C20H30O2

Molecular weight

302.46 g/mol

Monoisotopic mass

302.2246 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Pinus nigra J.F.Arnold subsp. nigra leaf -
Zinkel, D.F., Clarke, W.B. (1985). Resin acids of Pinus resinosa needles. Phytochemistry, 24(6), 1267-1271 doi:10.1016/s0031-9422(00)81113-9
Pinus nigra J.F.Arnold subsp. nigra leaf -
Zinkel, D.F., Magee, T.V., Walter, J. (1985). Major resin acids of Pinus nigra needles. Phytochemistry, 24(6), 1273-1277 doi:10.1016/s0031-9422(00)81114-0
Pinus nigra J.F.Arnold subsp. nigra wood -
Lorbeer, E., Kratzl, K. (1985). Gas-chromatographic investigations of fatty acids and resin acids in Pinus nigra austriaca. Holzforsch Holzverwert, 37(6), 109-112