Products 35897-92-8

CAS 35897-92-8 appears in our catalog under these names: Ligstroside, Ligustroside, >95% (HPLC), Ligustroside, Ligustroside 98+%, Ligustroside, 98+%, 98+%. Offered by: Chemat Brand, TRC, GLPBio, Biosynth, Ambeed. Available pack sizes: on request, 10mg, 2,5mg, 25mg, 1mg, 2mg, 5mg, 5 mg.

Structural formula: {0} (CAS {1})

Ligstroside is a secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 4-hydroxyphenethyl ester (the 2S,3E,4S stereoisomer). An important phenolic compound present in olive cultivars. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-D-glucoside, a methyl ester, a member of pyrans, a member of phenols, a secoiridoid glycoside and a diester.

Source: ChEBI

Identity
Molecular formulaC25H32O12
Molecular weight524.5 g/mol
IUPAC namemethyl (4S,5E,6S)-5-ethylidene-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
InChIKeyGMQXOLRKJQWPNB-MVVLSVRYSA-N
SMILESC/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O

Computed by PubChem (NCBI)