110531-96-9 Purity
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Specification
The molecular formula of beta-Escin is C55H86O24.
The molecular weight of beta-Escin is 1131.3 g/mol.
Some synonyms for beta-Escin are Escin, beta-Escin, Aescin, and AESCINE.
Beta-Escin was first created on 2007-07-12 and last modified on 2023-12-30.
The IUPAC name of beta-Escin is (2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.
The InChIKey of beta-Escin is AXNVHPCVMSNXNP-YSYFQUGBSA-N.
Other identifiers of beta-Escin include CAS 6805-41-0, European Community (EC) Number 229-880-6, ChEMBL ID CHEMBL1875956, and Wikidata Q104392308.
The XLogP3-AA value for beta-Escin is 0.7.
There are 13 hydrogen bond donor counts in beta-Escin.
The exact mass of beta-Escin is 1130.55090361 g/mol.