CAS 81397-67-3

3-[1-(Acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid

Description:

The chemical substance known as "3-[1-(Acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid," with the CAS number 81397-67-3, is a complex organic compound characterized by its unique structure, which includes an acetyloxy group and a hexahydroindene moiety. This compound features a double bond characteristic of an acrylic acid derivative, indicating potential reactivity in polymerization or other chemical reactions. The presence of multiple chiral centers suggests that it may exist in various stereoisomeric forms, which can influence its biological activity and interactions. Additionally, the acetyloxy group may enhance solubility and reactivity, making it useful in various applications, including pharmaceuticals and agrochemicals. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound exemplifies the complexity and diversity of organic chemistry, with potential implications in various fields of research and industry.

Formula: C₁₇H₂₄O₄

InChI: InChI=1/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1

InChI key: InChIKey=VBBXZFLAYWAXSK-UHFFFAOYSA-N

SMILES: C(=C(C(O)=O)C)C1C=2C(C(OC(C)=O)CC2C)C(C)CC1

Synonyms:

• (2E)-3-[(1R,4S,7R,7aR)-1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylic acid
• 2-Propenoic acid, 3-[1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-
• 2-propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
• 3-[1-(Acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid
• ACETOXYVALERENIC ACID
• acetylvalerenolic acid
• Acetoxyvalerenic acid - Valeriana officinalis (common valerian)
• Acetoxyvalerensre

Acetoxyvalerensre

CAS: 81397-67-3

Acetoxyvalerensre

Purity: ≥98%

Molecular weight: 292.37g/mol

Ref: 54-BUP01939

Acetoxyvalerensre

CAS: 81397-67-3

Acetoxyvalerensre (acetylvalerenolic acid) (acetylvalerenolic acid) is a derivative of valerenic acid, which is a a GABAA receptor modulator.

Formula: C₁₇H₂₄O₄

Purity: 98.22%

Color and Shape: Solid

Molecular weight: 292.37

Ref: TM-TN6773

Acetoxyvalerenic acid, valeriana officinalis (common valerian)

CAS: 81397-67-3

**Acetoxyvalerenic acid** is a bioactive compound, which is a sesquiterpenic constituent derived from the roots of *Valeriana officinalis*, commonly known as valerian. This perennial flowering plant is indigenous to Europe and parts of Asia and has been historically utilized for its sedative and calming effects. Recent phytochemical studies have isolated acetoxyvalerenic acid as one of the active sesquiterpenoids contributing to these effects.

Formula: C₁₇H₂₄O₄

Purity: Min. 90 Area-%

Color and Shape: Colorless Clear Liquid

Molecular weight: 292.37 g/mol

Ref: 3D-FA72428

Rac-Acetoxyvalerenic Acid

CAS: 81397-67-3

Formula: C₁₇H₂₄O₄

Molecular weight: 292.38

Ref: ST-EA-CP-V39003