2842-86-6

Basic information

• Product Name: (3beta,5beta,8xi,9xi)-3-(acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide
• CAS NO: 2842-86-6
• Molecular Formula: C₂₅H₃₄O₆
• Molecular Weight: 430.5339
• Mol File: 2842-86-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 590.6°C at 760 mmHg
• Flash Point: 198.2°C
• Density: 1.25g/cm³
• Vapor Pressure: 2.07E-16mmHg at 25°C
• Refractive Index: 1.572
• CAS DataBase Reference: (3beta,5beta,8xi,9xi)-3-(acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide(CAS DataBase Reference)
• NIST Chemistry Reference: (3beta,5beta,8xi,9xi)-3-(acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide(2842-86-6)
• EPA Substance Registry System: (3beta,5beta,8xi,9xi)-3-(acetyloxy)-14-hydroxy-12-oxocard-20(22)-enolide(2842-86-6)

Safety Data

• Hazardous Substances Data: 2842-86-6(Hazardous Substances Data)

Upstream product

• 20830-75-5 digoxin 
• 6078-59-7 3,12-Diacetyl-digoxingenin 
• 108-24-7 acetic anhydride 
• 2842-85-5 3β,14-Dihydroxy-12-oxo-5β,14β-card-20(22)-enolid 

Downstream Products

• 1672-46-4 digoxigenin 
• 80680-86-0 3β-Acetoxy-12β,14-dihydroxy-5β,14β-card-20(22)-enolid 
• 80680-87-1 3β-Acetoxy-12α,14-dihydroxy-5β,14β-card-20(22)-enolid 

Relevant articles and documents

Elimination Reactions and Rearrangement of 14β-Hydroxy-12-sulfonyloxy Steroids.

Elimination of 12α- or 12β-(methylsulfonyloxy)-14β-hydroxy steroids proceeds under rearrangement of the steroid nucleus.From the 12α-sulfonyloxy compounds of 19 the (12βH)-14(13->12)abeo-13(18)-ene steroid 21 is obtained, whereas the 14β-hydroxy-(12βH)-17(13->12)abeo-13(18)ene compounds 14, 20 result from the 12β-methylsulfonyloxy derivatives of the steroids 13, 18.Structures were determined by means of 2D-NMR analyses and decoupling experiments.The theoretical explanation of this rearrangement leads to the possibility of an elimination of the 12α-methylsulfonyloxy group to yield the Δ11-alkene (28).This is possible by steric fixation of the migrating C-atoms at positions 14 and 17 in the 20,14β-lactone (26, 27).