Description

(1R,3As,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Br)-3A-Isocyanato-5A,5B,8,8,11A-Pentamethyl-1-(Prop-1-En-2-Yl)Icosahydro-1H-Cyclopenta[A]Chrysen-9-Ol is a high-purity, steroidal isocyanate derivative of significant interest in advanced organic synthesis. This compound matters as a key chiral building block for the development of novel pharmaceuticals and bioactive molecules, offering a complex, functionalized backbone for targeted chemical modifications. It is primarily needed by research institutions and pharmaceutical companies engaged in the synthesis of steroid-based drug candidates, hormone analogs, and other specialized fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral precursor in the synthesis of novel steroid-based therapeutics and active pharmaceutical ingredients (APIs).
• Medicinal Chemistry Research: Used as a versatile scaffold for structure-activity relationship (SAR) studies and the development of new bioactive compounds.
• Advanced Organic Synthesis: Employed in the construction of complex natural product analogs and other sophisticated molecular architectures due to its reactive isocyanate group and defined stereochemistry.
• Bioconjugation & Probe Development: The isocyanate functionality allows for selective reactions with amines and alcohols, making it suitable for creating labeled probes or conjugates for biological studies.
• Material Science Research: Potential use in the synthesis of specialized polymers or dendrimers with unique steroidal cores for advanced material properties.

Basic Information

Product Name	(1R,3As,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Br)-3A-Isocyanato-5A,5B,8,8,11A-Pentamethyl-1-(Prop-1-En-2-Yl)Icosahydro-1H-Cyclopenta[A]Chrysen-9-Ol
CAS No.	672958-04-2
Molecular Formula	C30H45NO2
Molecular Weight	451.69 g/mol
Synonyms	3α-Isocyanato-5α,5β,8,8,11α-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; Steroidal 3α-Isocyanate; 9-Hydroxy-3α-isocyanatotirucallane derivative; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-Isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; Tirucallol isocyanate derivative
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Every batch of (1R,3As,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Br)-3A-Isocyanato-5A,5B,8,8,11A-Pentamethyl-1-(Prop-1-En-2-Yl)Icosahydro-1H-Cyclopenta[A]Chrysen-9-Ol is analyzed using advanced techniques like HPLC, NMR, and IR to confirm identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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