17974-66-2

Basic information

• Product Name: (6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
• Synonyms: (6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid;3a,7a-Dihydroxycoprostanic acid;3α,7α-Dihydroxy-5β-cholest-26-oic acid;3α,7α-Dihydroxy-5β-cholestan-26-oic acid
• CAS NO: 17974-66-2
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 0
• Mol File: 17974-66-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 574.2°Cat760mmHg
• Flash Point: 315.1°C
• Appearance: /
• Density: 1.092g/cm³
• Vapor Pressure: 1.42E-15mmHg at 25°C
• Refractive Index: 1.533
• CAS DataBase Reference: (6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid(17974-66-2)
• EPA Substance Registry System: (6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid(17974-66-2)

Safety Data

• Hazardous Substances Data: 17974-66-2(Hazardous Substances Data)

Usage

General Description

The chemical "(6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid" is a complex steroid molecule that contains a cyclopenta[a]phenanthrene structure. This molecule has a 6R stereochemistry and a long aliphatic side chain, making it a type of steroid hormone. The cyclopenta[a]phenanthrene core and the hydroxyl groups in the steroid structure suggest that this molecule may play a role in biological processes such as hormone regulation or metabolism. The presence of the 2-methylheptanoic acid moiety suggests that this molecule may also have some fatty acid-like properties. Overall, this compound is likely a biologically active steroid derivative with potential implications in hormone signaling and lipid metabolism.

InChI:InChI=1/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20?,21?,22?,23-,24?,26+,27-/m1/s1

Upstream product

• 141417-49-4 methyl 3α,7α-diacetoxy-12-oxo-5β-cholestan-26-oate-12-tosylhydrazone 
• 264128-69-0 3α,7α-dihydroxy-25-carboxy-5β-cholestan-26-oic acid 
• 6159-50-8 3α,7α-diformyloxy-5β-cholan-24-oic acid 
• 38408-29-6 methyl 3α,7α-diacetoxy-12-oxo-5β-cholestan-26-oate 
• 38408-28-5 methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholestan-26-oate 
• 96478-80-7 (R)-2-Methyl-6-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-heptanoic acid methyl ester 
• 547-98-8 Trihydroxycholestanoic acid 
• 264128-67-8 3α,7α-bis(formyloxy)-24-iodo-5β-cholane 
• 162518-66-3 3α,7α-diformyloxy-5β-24-hydroxy-cholane 
• 264128-68-9 ethyl 3α,7α-bis(formyloxy)-25-ethoxycarbonyl-5β-cholestan-26-oate 

Downstream Products

• 474-25-9 chenodeoxycholic acid 

Relevant articles and documents

A convenient synthesis of 5β-cholestan-26-oic and 5β-cholestan-26,27-dioic acids

A new method for the preparation of 5β-cholestan-26-oic acids 7 and their analogs is described. The key steps in the synthesis are: iodination of bis- and tris-formyloxy-5β-cholan-24-ols 3; nucleophilic substitution of iodides 4 with diethyl sodiomalonate; complete alkaline hydrolysis of esters 5; and subsequent decarboxylation of geminal diacids 6 in DMSO. Copyright (C) 2000 Elsevier Science Inc.

Partial synthesis of stero-bile acids related to chenodeoxycholic acid.

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