CAS 137592-04-2

[4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate

Description:

The chemical substance with the name "[4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate" and CAS number "137592-04-2" is a complex organic compound characterized by its unique structural features. It contains a phenolic moiety with multiple functional groups, including a formyl group, a hydroxy group, and a methoxy group, which contribute to its reactivity and potential biological activity. The presence of a long-chain fatty acid moiety (octadecanoate) suggests that it may exhibit amphiphilic properties, making it relevant in formulations such as emulsifiers or surfactants. Additionally, the compound's structure indicates potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the dimethyl-5-oxo-2,6-octadienyl group, which may impart specific biological activities. Its molecular complexity and the presence of multiple functional groups may also influence its solubility, stability, and interaction with biological systems, warranting further investigation into its properties and potential uses.

Formula: C₃₇H₅₈O₆

InChI: InChI=1S/C37H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)43-28-31-26-35(42-5)33(37(41)34(31)27-38)23-22-30(4)25-32(39)24-29(2)3/h22,24,26-27,41H,6-21,23,25,28H2,1-5H3/b30-22+

InChI key: InChIKey=ZTJZNRQMSBGEOJ-JBASAIQMSA-N

SMILES: C(OC(CCCCCCCCCCCCCCCCC)=O)C1=C(C=O)C(O)=C(C/C=C(/CC(C=C(C)C)=O)\C)C(OC)=C1

Synonyms:

• Octadecanoic acid, [4-[(2E)-3,7-dimethyl-5-oxo-2,6-octadienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester
• Octadecanoic acid, [4-(3,7-dimethyl-5-oxo-2,6-octadienyl)-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester, (E)-
• Octadecanoic acid, [4-[(2E)-3,7-dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl ester
• Hericenone D
• [4-[(2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate

Hericenone D

CAS: 137592-04-2

Formula: C₃₇H₅₈O₆

Purity: 95%~99%

Molecular weight: 598.865

Ref: BP-BP2348

Hericenone D

CAS: 137592-04-2

Formula: C₃₇H₅₈O₆

Molecular weight: 598.87

Ref: 4Z-H-073002

Hericenone d

CAS: 137592-04-2

Aldehyde phenol

Formula: C₃₇H₅₈O₆

Purity: ≥ 95.0 % (HPLC)

Molecular weight: 598.85

Ref: 5G-24834