CAS 112018-12-9

(2Z,4E,6E)-7-(2,4,5,6,7,7a-Hexahydro-4,4,7a-trimethyl-2-benzofuranyl)-3-methyl-2,4,6-octatrienoic acid

Description:

The chemical substance known as (2Z,4E,6E)-7-(2,4,5,6,7,7a-Hexahydro-4,4,7a-trimethyl-2-benzofuranyl)-3-methyl-2,4,6-octatrienoic acid, with the CAS number 112018-12-9, is a complex organic compound characterized by its unique structure, which includes multiple double bonds and a benzofuran moiety. This compound features a long carbon chain with a series of conjugated double bonds, contributing to its potential reactivity and stability under certain conditions. The presence of the hexahydro-benzofuran ring adds to its structural complexity and may influence its biological activity. The specific stereochemistry indicated by the Z and E configurations suggests that the compound can exhibit distinct geometric isomerism, which can affect its interactions in biological systems. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, or as natural products, given their intricate structures and possible bioactive properties. Further research would be necessary to fully elucidate its properties and potential uses.

Formula: C₂₀H₂₈O₃

InChI: InChI=1/C20H28O3/c1-14(12-18(21)22)8-6-9-15(2)16-13-17-19(3,4)10-7-11-20(17,5)23-16/h6,8-9,12-13,16H,7,10-11H2,1-5H3,(H,21,22)/b8-6+,14-12-,15-9+

InChI key: InChIKey=QDOSIDVGVRAXSE-DYIZZJGFNA-N

SMILES: CC12C(=CC(\C(=C\C=C\C(=C/C(O)=O)\C)\C)O1)C(C)(C)CCC2

Synonyms:

• 5,8-Epoxy-13-cis-retinoic acid
• Retinoic acid, 5,8-epoxy-5,8-dihydro-, 13-cis-
• (2Z,4E,6E)-7-(2,4,5,6,7,7a-Hexahydro-4,4,7a-trimethyl-2-benzofuranyl)-3-methyl-2,4,6-octatrienoic acid
• 2,4,6-Octatrienoic acid, 7-(2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-2-benzofuranyl)-3-methyl-, (2Z,4E,6E)-

5,8-Epoxy-13-cis Retinoic Acid (Mixture of Diastereomers)

CAS: 112018-12-9

Formula: C₂₀H₂₈O₃

Color and Shape: Off-White Solid

Molecular weight: 316.44

Ref: 4Z-T-114009

5,8-Epoxy-13-cis Retinoic Acid(Mixture of Diastereomers)

Controlled Product

CAS: 112018-12-9

Applications A metabolite of 13-cis-Retinoic Acid (R250000).
References Samokyszyn, V., et al.: J. Biol. Chem., 262, 14119 (1987), Oldfield, N., et al.: Drug Metabol. Dispos., 18, 1105 (1990), Samokyszyn, V., et al.: Chem. Res. Toxicol., 10, 795 (1997),

Formula: C₂₀H₂₈O₃

Color and Shape: Neat

Molecular weight: 316.43

Ref: TR-E589820

Rac-5,8-trans-5,8-Epoxy-13-cis Retinoic Acid

Controlled Product

CAS: 112018-12-9

Applications 5,8-trans-5,8-Epoxy-13-cis Retinoic Acid can be obtained from 13-cis-Retinoic Acid (R250000) which is used as a treatment for severe acne. Presently being studied in conjuction with the treatment of photoaged skin.
References Lerche, C., et al.: Exp. Dermatol., 17, 972 (2008), Sato, T., et al.: J. Med. Chem., 51, 7705 (2008), Gan, J., et al.: Chem. Res. Toxicol., 22, 690 (2009), Macejova, D., et al.: Toxicol. Lett., 184, 114 (2009), Chen, P., et al.: Toxicol. App. Pharmacol., 234, 143 (2009),

Formula: C₂₀H₂₈O₃

Color and Shape: Neat

Molecular weight: 316.435

Ref: TR-E892098

5,8-Epoxy-13-Cis-Retinoic Acid

CAS: 112018-12-9

Formula: C₂₀H₂₈O₃

Molecular weight: 316.44

Ref: ST-EA-CP-I25009