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3β,14-Dihydroxy-12-oxo-5β-card-20(22)-enolide is a complex chemical compound belonging to the class of cardenolides, which are naturally occurring steroids found in plants. This specific compound is characterized by its unique molecular structure, featuring a 3β,14-dihydroxy substitution pattern, a 12-oxo functional group, and a 5β-card-20(22)-enolide skeleton. It is known for its potential biological activities, such as cardiotonic effects, which can be attributed to its ability to modulate the activity of certain ion channels in heart muscle cells. The compound's structure and properties make it a subject of interest in the field of natural product chemistry and pharmacology, as it may offer insights into the development of new therapeutic agents for cardiovascular diseases.

2842-85-5

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2842-85-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2842-85-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,8,4 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 2842-85:
(6*2)+(5*8)+(4*4)+(3*2)+(2*8)+(1*5)=95
95 % 10 = 5
So 2842-85-5 is a valid CAS Registry Number.
InChI:InChI=1/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-18,24,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17?,18?,21+,22+,23+/m1/s1

2842-85-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1.2 Other means of identification

Product number -
Other names 12-Dehydrodigoxigenin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2842-85-5 SDS

2842-85-5Upstream product

2842-85-5Relevant academic research and scientific papers

ELIMINATION OF 14β-HYDROXY-12-MESYLOXY-5β-STEROIDS

Habermehl, Gerhard G.,Hammann, Peter E.

, p. 4345 - 4348 (1985)

Elimination of a 12α-methanesulfoxy group in 3β-acetoxy-14β-hydroxy-12α-mesyloxy-5β-androstane-17β-carboxylic-acid-14β-lactone under preventing Wagner-Meerwein rearrangements by steric fixation, is reported.Furthermore, the synthesis of this compound and the different elimination behaviors in the 12α- and the 12β-isomers are described.

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

Hammann, Peter E.,Habermehl, Gerhard G.

, p. 149 - 156 (2007/10/02)

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).

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