8,13-Abietadien-18-oic acid

HCID 16040CAS 1945-53-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C(=O)O)C1CC2
InChIKey: MLBYBBUZURKHAW-UHFFFAOYSA-N
分子式: C20H30O2
平均分子量: 302.5 g/mol

概要

8,13-abietadien-18-oic acid has been reported in Citrus medica and Citrus maxima with data available.

名称と識別子

優先名称: 8,13-Abietadien-18-oic acid
IUPAC: 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid

名称と別名

8,13-Abietadien-18-oic acidpalustrateRefChem:10672313-isopropylpodocarpa-8,13-dien-15-oic acid8,13-Abietadien-18-Oate1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, strontium salt, (1R,4aR,4bR,10aR)-NSC-148945PALUSTRICACID1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acidPodocarpa-8, 13-isopropyl-SCHEMBL151743MLBYBBUZURKHAW-UHFFFAOYSA-N

名称をさらに表示

Abieta-8,13-dien-18-oic acid #NSC148945LMPR010405001213-Isopropyl-Podocarpa-8,13-dien-15-oic acidPodocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI)1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1.alpha.,4a.beta.,10a.alpha.))-1-Phenanthrenecarboxylic acid,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-

データベース識別子

CAS: 1945-53-5
PubChem CID: 16040

物性

構造計算による物性

XLogP: 4.5
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 22
形式電荷: 0
複雑度: 554

実験および物理化学的性質

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]

Melting Point162 - 167 °C

Physical DescriptionSolid

化学と産業

薬理情報

Cellular LocationsMembrane