CAS 463962-56-3

(3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Description:

The chemical substance with the name "(3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid" and CAS number "463962-56-3" is a complex organic molecule characterized by multiple stereocenters and functional groups. It features a tetrahydropyran ring, which is a six-membered cyclic ether, and contains several hydroxyl (-OH) groups that contribute to its hydrophilicity and potential biological activity. The presence of a carboxylic acid group (-COOH) indicates acidic properties, while the dimethylbutanoyloxy and hexahydronaphthalene moieties suggest a significant hydrophobic character. This compound may exhibit interesting pharmacological properties due to its structural complexity, potentially interacting with biological targets through hydrogen bonding and hydrophobic interactions. Its stereochemistry is crucial for its biological activity, as the specific arrangement of atoms can influence how the molecule interacts with enzymes or receptors in biological systems. Overall, this substance represents a class of compounds that may have applications in medicinal chemistry or biochemistry.

Formula: C₃₁H₄₈O₁₂

InChI: InChI=1/C31H48O12/c1-6-31(4,5)30(40)41-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(32)13-19(33)14-22(34)42-29-26(37)24(35)25(36)27(43-29)28(38)39/h7-8,11,15-16,18-21,23-27,29,32-33,35-37H,6,9-10,12-14H2,1-5H3,(H,38,39)/t15-,16-,18+,19+,20-,21-,23-,24?,25+,26?,27?,29-/m0/s1

Simvastatin acyl-b-D-glucuronide

CAS: 463962-56-3

Ref: 7W-GC1415

Simvastatin Acyl-β-D-glucuronide

CAS: 463962-56-3

Simvastatin Acyl-β-D-glucuronide, a metabolite formed from Simvastatin, acts as a competitive inhibitor of HMG-CoA reductase, showcasing a potent Ki of 0.2 nM.

Formula: C₃₁H₄₈O₁₂

Color and Shape: Solid

Molecular weight: 612.71

Ref: TM-T40557

Simvastatin Acyl-β-D-glucuronide

CAS: 463962-56-3

Formula: C₃₁H₄₈O₁₂

Molecular weight: 612.72

Ref: 4Z-S-1220

Simvastatin acyl-b-D-glucuronide

CAS: 463962-56-3

Simvastatin acyl-b-D-glucuronide is a synthetic compound that is not naturally occurring. It has a molecular weight of 571.67 and the CAS number 463962-56-3. The chemical formula for this compound is C30H44O8 and its structural formula is shown below. The purity of this product is >99% and it has been modified with fluorination to improve solubility in water.

Formula: C₃₁H₄₈O₁₂

Purity: Min. 95%

Molecular weight: 612.71 g/mol

Ref: 3D-IS182932

Simvastatin acyl-b-D-glucuronide

CAS: 463962-56-3

Simvastatin acyl-b-D-glucuronide is a modification of simvastatin that has been synthesized and modified to provide high purity. It is a white, crystalline solid with a melting point of about 200°C. This compound can be used as an intermediate in the synthesis of oligosaccharides, polysaccharides, or other carbohydrate derivatives.

Formula: C₃₁H₄₈O₁₂

Purity: Min. 97 Area-%

Color and Shape: White Off-White Powder

Molecular weight: 612.71 g/mol

Ref: 3D-MS10474

Simvastatin Acyl-b-D-glucuronide

Controlled Product

CAS: 463962-56-3

Formula: C₃₁H₄₈O₁₂

Color and Shape: Neat

Molecular weight: 612.71

Ref: TR-S485005

Simvastatin Acyl-β-D-glucuronide-d6

Controlled Product

CAS: 463962-56-3

Formula: C₃₁H₄₈D₆O₁₂

Color and Shape: Neat

Molecular weight: 624.79

Ref: TR-S485004