Description

(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid is a high-purity, complex pentacyclic triterpenoid derivative with a defined stereochemistry. This compound is a critical advanced intermediate in the synthesis of novel pharmaceutical agents, particularly in the development of anti-inflammatory and antiviral therapeutics. It is primarily required by pharmaceutical R&D laboratories and contract manufacturing organizations (CMOs) engaged in the synthesis of complex small-molecule drug candidates.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of novel pentacyclic triterpenoid-based drug candidates.
• Anti-inflammatory Drug Research: Used in the development of new therapeutic agents targeting inflammatory pathways.
• Antiviral Agent Development: Serves as a precursor in the research of compounds with potential antiviral activity.
• Chemical Biology & Proteomics: Employed as a molecular scaffold or probe in the study of protein-ligand interactions.
• Process Chemistry & Scale-up: Used for process optimization and pilot-scale synthesis of target active pharmaceutical ingredients (APIs).
• Reference Standard: Serves as a high-purity analytical standard for quality control and method development in pharmaceutical analysis.

Basic Information

Item	Details
Product Name	(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
CAS No.	1350914-72-5
Molecular Formula	C41H58O4
Molecular Weight	614.90 g/mol
Synonyms	9-(4-(Methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid; Methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-carboxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate; Pentacyclic Triterpenoid Derivative; CAS 1350914-72-5; Triterpene Carboxylic Acid Ester; Chiral Triterpenoid Intermediate
EINECS	Contact for details

Quality Control

Our (1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing including HPLC, NMR, and MS to ensure identity, purity, and stereochemical integrity. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with customer specifications and relevant ICH guidelines for pharmaceutical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure the container is sealed tightly after each use to prevent degradation by atmospheric moisture. For long-term storage, consider storage under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Specific Rotation	Contact for details

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