Description

(1S,4Aβ,βr)-Decahydro-2β-Hydroxy-β,2,5,5,8Aα-Pentamethyl-1α-Naphthalenepentanoic Acid Methyl Ester CAS NO 3950-05-8 is a high-purity, complex organic ester with a defined stereochemistry, making it a valuable chiral intermediate for advanced synthesis. This compound is critical for research and development in the pharmaceutical sector, where precise molecular architecture is required for biological activity. It serves as a key building block for medicinal chemists and process development scientists working on novel therapeutic agents, particularly in steroid and terpenoid-related pathways.

Application

• Pharmaceutical Intermediate: A crucial chiral synthon for the research and development of novel active pharmaceutical ingredients (APIs), especially in steroidal or terpenoid-based drug candidates.
• Advanced Organic Synthesis: Used as a sophisticated building block in complex multi-step syntheses requiring specific stereochemical control.
• Medicinal Chemistry Research: Enables the exploration of structure-activity relationships (SAR) by providing a defined molecular scaffold for derivatization.
• Process Chemistry Development: Serves as a reference standard or starting material for scaling up synthetic routes under Good Manufacturing Practice (GMP) conditions.
• Biochemical Research: Potential use as a probe or inhibitor in enzymatic studies due to its complex, natural product-like structure.
• Fine Chemical Production: Employed in the manufacture of high-value specialty chemicals where optical purity is paramount.

Basic Information

Product Name	(1S,4Aβ,βr)-Decahydro-2β-Hydroxy-β,2,5,5,8Aα-Pentamethyl-1α-Naphthalenepentanoic Acid Methyl Ester
CAS No.	3950-05-8
Molecular Formula	C21H38O3
Molecular Weight	338.53 g/mol
Synonyms	Methyl (1S,4aR,8aS)-Decahydro-2-hydroxy-β,2,5,5,8a-pentamethyl-1-naphthalenepentanoate; Methyl (1S,4aR,8aS)-Decahydro-2-hydroxy-β,2,5,5,8a-pentamethyl-1-naphthalenevalerate; 2-Hydroxy-15-oxopentacyclo[9.3.1.13,8.15,9.113,15]pentadecan-4-yl Methyl Ester (stereoisomer); A complex polycyclic ester intermediate.
EINECS	Contact for details

Quality Control

Our (1S,4Aβ,βr)-Decahydro-2β-Hydroxy-β,2,5,5,8Aα-Pentamethyl-1α-Naphthalenepentanoic Acid Methyl Ester is produced under stringent quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity assessment by HPLC, to ensure high chemical and isomeric purity suitable for research and development applications. Certificates of Analysis (COA) with detailed chromatographic data are provided to guarantee traceability and batch-to-batch consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This material is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.