7242-07-1

Basic information

• Product Name: 16-ACETYLGITOXIN
• Synonyms: acetyl-16-gitoxine;gitoxin,16-acetate;gitoxin16-beta-acetate;16-ACETYLGITOXIN;ACETYLGITOXIN, 16-;336 N;29 Na 4;Acetylgitoxin-beta
• CAS NO: 7242-07-1
• Molecular Formula: C₄₃H₆₆O₁₅
• Molecular Weight: 822.98
• EINECS: 230-646-0
• Mol File: 7242-07-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 681.03°C (rough estimate)
• Flash Point: 272°C
• Appearance: /
• Density: 1.1139 (rough estimate)
• Vapor Pressure: 3.74E-06mmHg at 25°C
• Refractive Index: 1.5940 (estimate)
• CAS DataBase Reference: 16-ACETYLGITOXIN(CAS DataBase Reference)
• NIST Chemistry Reference: 16-ACETYLGITOXIN(7242-07-1)
• EPA Substance Registry System: 16-ACETYLGITOXIN(7242-07-1)

Safety Data

• Hazardous Substances Data: 7242-07-1(Hazardous Substances Data)

Usage

Definition

ChEBI: A cardenolide glycoside that is the 16-acetate of gitoxin.

InChI:InChI=1/C9H15ClO3.C9H9ClO3.C5H10N.C5H6N.Cu.H2O/c2*1-6-4-7(10)2-3-8(6)13-5-9(11)12;2*1-2-4-6-5-3-1;;/h6-8H,2-5H2,1H3,(H,11,12);2-4H,5H2,1H3,(H,11,12);1-5H2;1-4H,5H2;;1H2/q;;2*-1;+2;

Upstream product

• 4562-36-1 gitoxin 
• 24613-32-9 gitoxin 3''',4'''-cyclocarbonate 
• 26619-73-8 C₄₄H₆₄O₁₆ 

Relevant articles and documents

Cardiac Glycosides. 6. Gitoxigenin C16 Acetates, Formates, Methoxycarbonates, and Digitoxosides. Synthesis and Na+, K+ -ATPase Inhibitory Activities

A series of 17 gitoxigenin 16β-formates, acetates, and methoxycarbonates was synthesized, including their 3β-acetates, formates, and digitoxosides.A 16β-formate group was generally found to increase activity 30 times, a 16β-acetate group 9-12 times, while a 16β-methoxycarbonate decreased activity by two-thirds. 3β-Formates and acetates had little effect on activity by themselves, but sometimes reduced the activity-increasing properties of 16β-formates and acetates.A 3β-digitoxoside increases the activity of ditoxigenin by 15 times, but the effect is less ifthe 16β-group is esterified.And finally, a 16-one decreases activity dramatically.These data suggest an important role for C16 esters and possibly the presence of a separate binding site on Na+, K+ -ATPase corresponding to the cardenolide C16 position.