CAS 63303-42-4

(2α,3β)-2-Hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-12-en-28-oic acid

Description:

The chemical substance known as (2α,3β)-2-Hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-12-en-28-oic acid, with the CAS number 63303-42-4, is a naturally occurring compound that belongs to the class of triterpenoids, specifically ursane-type compounds. It features a complex structure characterized by a hydroxyl group at the 2 and 3 positions, contributing to its potential biological activity. The presence of a phenyl group linked through an ether bond suggests that it may exhibit various pharmacological properties, including anti-inflammatory and antioxidant effects. This compound is of interest in medicinal chemistry and natural product research due to its potential therapeutic applications. Its solubility and stability can vary depending on the solvent and environmental conditions, which are important factors for its bioavailability and efficacy in biological systems. Overall, this compound exemplifies the diverse chemistry of natural products and their potential utility in drug development.

Formula: C₃₉H₅₄O₆

InChI: InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,24+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1

InChI key: InChIKey=FEVUQLLYZLSRLB-SVRRIJHPSA-N

SMILES: C(O)(=O)[C@]12[C@](C=3[C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](OC(/C=C/C6=CC=C(O)C=C6)=O)[C@H](O)C5)[H])[H])([C@@H](C)[C@H](C)CC2)[H]

Synonyms:

• Urs-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2α,3β)-
• Urs-12-en-28-oic acid, 2-hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2α,3β)-
• Urs-12-en-28-oic acid, 2-hydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [2α,3β(E)]-
• Jacoumaric acid
• (2α,3β)-2-Hydroxy-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]urs-12-en-28-oic acid

Jacoumaric acid

CAS: 63303-42-4

Jacoumaric acid is a lead molecule from the library or database of natural compounds as a HIV-1 protease inhibitor.

Formula: C₃₉H₅₄O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 618.84

Ref: TM-TN4347

Jacoumaric acid

CAS: 63303-42-4

Jacoumaric acid is a phenylpropanoid compound, which is a natural compound found in various plant species. It is derived from the phenylpropanoid pathway, a metabolic route in plants that produces a variety of secondary metabolites. With its notable antioxidant properties, Jacoumaric acid acts by scavenging free radicals and reducing oxidative stress within biological systems. This mechanism is crucial for protecting cells and tissues from oxidative damage, thereby maintaining cellular function and integrity.

Formula: C₃₉H₅₄O₆

Purity: Min. 95%

Molecular weight: 618.80 g/mol

Ref: 3D-NCA30342