CAS 134523-09-4

1,2,3,7,8,8a-Hexahydro-3-hydroxy-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl 2,2-dimethylbutanoate

Description:

1,2,3,7,8,8a-Hexahydro-3-hydroxy-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl 2,2-dimethylbutanoate, with CAS number 134523-09-4, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and stereocenters. This substance is part of a class of compounds known for their potential biological activity, often studied for applications in pharmaceuticals or agrochemicals. Its structure suggests the presence of a naphthalene moiety, which is typically associated with aromatic properties, while the hexahydro and tetrahydro components indicate saturation and potential for hydrogen bonding. The hydroxyl groups present in the molecule may contribute to its solubility and reactivity, making it a candidate for various chemical reactions. Additionally, the presence of a dimethylbutanoate group suggests potential esterification properties, which could influence its behavior in biological systems. Overall, this compound's unique characteristics make it a subject of interest in chemical research and development.

Formula: C₂₅H₃₈O₆

InChI: InChI=1S/C25H38O6/c1-6-24(3,4)23(28)31-20-14-25(5,29)13-16-8-7-15(2)19(22(16)20)10-9-18-11-17(26)12-21(27)30-18/h7-8,13,15,17-20,22,26,29H,6,9-12,14H2,1-5H3

InChI key: InChIKey=WJKSTNFUSXHVRJ-UHFFFAOYSA-N

SMILES: C(CC1CC(O)CC(=O)O1)C2C3C(OC(C(CC)(C)C)=O)CC(C)(O)C=C3C=CC2C

Synonyms:

• 1,2,3,7,8,8a-Hexahydro-3-hydroxy-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl 2,2-dimethylbutanoate
• 6Hydroxy Simvastatin Discontinued
• Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3-hydroxy-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester

3-Hydroxy Simvastatin

CAS: 134523-09-4

Formula: C₂₅H₃₈O₆

Molecular weight: 434.58

Ref: 4Z-S-1224