Licoagroside B

cas: 325144-72-7 — see every product listed under this CAS number, including other names

Licoagroside B (CAS 325144-72-7) is a chemical reagent available from Chemat. Available pack sizes: 1MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberSMB00574-1MG
cas325144-72-7
size1MG
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Available pack sizes

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Sigma-Aldrich 1MG 1524.00 Pln

Licoagroside B is a monosaccharide derivative resulting from the formal condensation of the hydroxy group of 2-methyl-4-oxo-4H-pyran-3-yl beta-D-glucopyranoside with the carboxy group of 3-hydroxy-3-methylglutaric acid. It has a role as a plant metabolite. It is a beta-D-glucoside, a tertiary alcohol, a dicarboxylic acid monoester and a monosaccharide derivative. It is functionally related to a beta-D-glucose, a 3-hydroxy-3-methylglutaric acid and a 3-hydroxy-2-methyl-4-pyrone.

Source: ChEBI

Identity
Molecular formulaC18H24O12
Molecular weight432.4 g/mol
IUPAC name3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid
InChIKeyWCVUIHQUPRXYKT-RGCIIANRSA-N
SMILESCC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(C)(CC(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Licoagroside B, tachiogroside B, Maltol 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)]-beta-D-glucopyranoside, orb1990316, Licoagroside B, >=95% (LC/MS-UV)
Isomers (same molecular formula)
(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid C18H24O12
(2,3,4,5,6-pentaacetyloxycyclohexyl) acetate C18H24O12
(1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid C18H24O12
dimethyl (1R,4aR,7R,7aR)-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4,7-dicarboxylate C18H24O12

Also listed as

(R)-3-Hydroxy-3-methyl-5-oxo-5-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-methyl-4-oxo-4H-pyran-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)pentanoic acid, 98% Chemat Brand CAS 325144-72-7