Pseudolaric Acid A

Basic Information

View in Editor

CAS Number

82508-32-5

Molecular Formula

C22H28O6

Molecular Weight

388.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

206-207 ºC

Boiling Point

434.16°C (rough estimate)

Density

1.23

Solubility

Methanol; Acetontrile; DMSO

Refractive Index

1.4450 (estimate)

SMILES

View in Editor

CC1=CC[C@@]23[C@](CC1)(OC(=O)C)[C@@H](CC2)[C@](OC3=O)(C)/C=C/C=C(/C(=O)O)\C

InChI

InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20-,21+,22+/m0/s1

InChIKey

GOHMRMDXUXWCDQ-JOCRUOLFSA-N

LogP

3.717500000000002

Topological Polar Surface Area

89.9 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

806

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

Pseudolaric Acid A
(2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,7-dimethyl-1-oxo-3,4,4a,5,6,9-hexahydro-4,9a-ethanocyclohepta[c]pyran-3(1H)-yl]-2-methylpenta-2,4-dienoic acid
2,4-Pentadienoic acid, 5-(4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta(c)pyran-3-yl)-2-methyl-(3alpha(2E,4E),4alpha,4aalpha,9aalpha)-(-)-
PseudolaricAcid?A
(2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(Acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-2,4-pentadienoic acid

MDL Number

MFCD31560788

FAQ

What are the physical and chemical properties of Pseudolaric Acid A (CAS: 82508-32-5)?

Pseudolaric Acid A is a white or off-white crystalline solid with a molecular weight of approximately 384.43 g/mol. It has a low solubility in water but is moderately soluble in organic solvents like methanol, ethanol, and acetone. Chemically, it is reactive towards bases and can undergo hydrolysis under basic conditions. It is insoluble in hexanes and has a melting point of around 190°C.

How is Pseudolaric Acid A (CAS: 82508-32-5) typically synthesized?

Pseudolaric Acid A is typically synthesized via a multi-step process involving the selective reduction of laricidin, followed by protection and deprotection of the hydroxyl groups. The synthesis often employs metal complexes as catalysts and involves careful control of reaction conditions to ensure high selectivity and yield. The final step involves hydrogenolysis to produce the desired acid.

What industries use Pseudolaric Acid A (CAS: 82508-32-5)?

Pseudolaric Acid A is primarily used in the pharmaceutical industry for the development of novel anti-inflammatory and anticancer drugs. It is also applied in the preparation of natural product-based drug candidates. Additionally, it has potential applications in the cosmetics industry, where it can be used as an active ingredient in anti-aging products.

What precautions should be taken when handling Pseudolaric Acid A (CAS: 82508-32-5)?

When handling Pseudolaric Acid A, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to prevent inhalation of vapors. Spills should be cleaned up using appropriate absorbents and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.