8,13-Abietadien-18-oic acid

HCID 16040

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Basic information

CAS: 1945-53-5
Standard SMILES: CC(C)C1=CC2=C(CC1)C1(C)CCCC(C)(C(=O)O)C1CC2
InChIKey: MLBYBBUZURKHAW-UHFFFAOYSA-N
Molecular formula: C20H30O2
Average molar mass: 302.5 g/mol

Overview

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

Names & identifiers

Preferred name: 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
English name: Palustricacid
Molecular formula: C20H30O2
Molecular weight: 302.45

Names & synonyms

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

Show more names

PalustricAbieta-8,13-dien-18-oic acidPALUSTRICACID ISO 9001：2015 REACH1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylicaci(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylic acid1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-

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.)]-

Database identifiers

CAS: 1945-53-5
PubChem CID: 16040

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 554

Experimental & physicochemical properties

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

Melting Point162 - 167 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 162 · 162-167°
alpha: 71.6 ° · D +71.6°
Boiling point: 383.47 °C · 383.47°C (rough estimate)
Density: 1.0434 · 1.0434 (rough estimate)
refractive index: 1.48 · 1.4800 (estimate)
storage temp.: Amber Vial, Refrigerator, Under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly, Sonicated), Ethanol (Slightly, Sonicated)
form: Solid
pka: 4.67 · 4.67±0.60(Predicted)
color: White to Off-White
Stability: Light Sensitive
LogP: 6.62 · 6.620 (est)
FDA UNII: 2 QAG30V3T · A2QAG30V3T
EPA Substance Registry System: Palustric acid (1945-53-5)

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesPalustric Acid is one of the components of pine oleoresin. It is an abietane-type of diterpene resin acid and has antibacterial, cardiovascular, and antioxidant properties.

Upstream & downstream products

Upstream raw materials

Abietic acid (1R,4aS,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydro phenanthrene-1-carboxylic acid Neoabietic acid

Suppliers16 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

成都健腾生物技术有限公司028-85159085 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Additional notes

DefinitionChEBI: Palustric acid is a diterpenoid.

Related reactions

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