Basic information
- CAS
1945-53-5- Standard SMILES
CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2- InChIKey
MLBYBBUZURKHAW-MISYRCLQSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
Palustric acid is a diterpenoid.
Names & identifiers
- Preferred name
- Palustric acid
- IUPAC
- (1R,4aS,10aR)-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
PALUSTRIC ACID1945-53-5PalustrinsaureNSC 148945Abieta-8,13-dien-18-oic acidSureCN151741Podocarpa-8,13-dien-15-oic acid, 13-isopropyl-A2QAG30V3TC12077(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carboxylic acid(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Show more names
PalustricPalustricacidPALUSTRICACID ISO 9001：2015 REACH1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylicaci1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
AC1L9EWTUNII-A2QAG30V3TNSC-1489451-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ass,10aa)]-; Palustric acid (6CI); Podocarpa-8,13-dien-15-oic acid, 13-isopropyl- (8CI); (1R,4aS,10aR)-1,2,3,4,4a,5,6,9,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid; 8,13-Abietadien-18-oic acid; NSC 148945PALUSTRIC ACID [MI]SCHEMBL151741orb1691376CHEBI:29660
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 554
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
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
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]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
1 records
Compound notes
Loading…