CAS 26166-39-2: 3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2,4-pentadien-1-yl]benzaldehyde

Description: 3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2,4-pentadien-1-yl]benzaldehyde, with CAS number 26166-39-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl (-OH), aldehyde (-CHO), and a chloro (-Cl) substituent. This compound features a benzaldehyde moiety, indicating its potential reactivity in electrophilic aromatic substitution reactions. The presence of multiple stereocenters suggests that it may exist in different stereoisomeric forms, which can influence its biological activity and chemical properties. The compound's solubility, stability, and reactivity can vary significantly depending on the solvent and environmental conditions. Its unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and organic synthesis. Overall, the compound's characteristics are defined by its functional groups, stereochemistry, and potential applications in various chemical and biological contexts.

Formula: C₂₃H₂₉ClO₄

InChI: InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1

InChI key: InChIKey=SETVRSKZJJWOPA-FLDGXQSCSA-N

SMILES: O=CC1=C(O)C(=C(O)C(Cl)=C1C)CC=C(C=CC2(C)C(C(=O)CCC2C)C)C

Synonyms:

• Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2,4-pentadienyl]-
• β-Resorcylaldehyde, 5-chloro-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl]-, (E,E)-
• Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl]-, [1R-[1α(2E,4E),2β,6β]]-
• Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2,4-pentadien-1-yl]-
• 3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]-2,4-pentadien-1-yl]benzaldehyde

Ascochlorin

CAS: 26166-39-2

• Formula: C₂₃H₂₉ClO₄
• Molecular weight: 404.9

Ascochlorin

CAS: 26166-39-2

Ascochlorin, an isoprenoid antibiotic, inhibits STAT3 to combat tumors, induces apoptosis, and reduces inflammation.

• Formula: C₂₃H₂₉ClO₄
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 404.93

Ascochlorin

CAS: 26166-39-2

• Formula: C₂₃H₂₉ClO₄
• Color and Shape: Neat
• Molecular weight: 404.927