Biochanin A 7-O-glucoside 6''-O-malonate

cas: 34232-17-2 — see every product listed under this CAS number, including other names

Biochanin A 7-O-glucoside 6''-O-malonate (CAS 34232-17-2) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 1mg, 10mg. Offered by: Biosynth.

brandBiosynth
catalog numberXB178881-5mg
cas34232-17-2
size5mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) is a glycosyloxyisoflavone that is biochanin A 7-O-beta-D-glucoside in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by one of the carboxy groups of malonic acid. It is a member of 4'-methoxyisoflavones, a beta-D-glucoside and a glycosyloxyisoflavone. It is functionally related to a biochanin A. It is a conjugate acid of a biochanin A 7-O-beta-D-glucoside 6''-O-malonate.

Source: ChEBI

Identity
Molecular formulaC25H24O13
Molecular weight532.4 g/mol
IUPAC name3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
InChIKeyVRCBYTZZZFFKEN-RBZNUJCTSA-N
SMILESCOC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside), Biochanin A 7-O-beta-D-glucoside 6''-O-malonate, Biochanin A 7-O-beta-D-glucoside-6''-O-malonate, Biochanin A 7-O-?-D-glucoside 6''-O-malonate, Sissotrin 6''-O-malonate, Biochanin A 7-O-glucoside 6''-O-malonate, biochanin A-7-O-glucoside-6''-O-malonylester, 5-hydroxy-4'-methoxyisoflavone-7-O-beta-D-glycoside-6''-O-malonate
Isomers (same molecular formula)
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid C25H24O13
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-3-methoxy-6-methyl-9,10-dioxoanthracen-1-yl)oxyoxan-2-yl]methoxy]propanoic acid C25H24O13
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxan-2-yl]methoxy]propanoic acid C25H24O13
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid C25H24O13
3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-oxopropanoic acid C25H24O13

Also listed as

Sissotrin 6''-O-malonate Chemat Brand CAS 34232-17-2
Biochanin A 7-O-beta-D-glucoside 6''-O-malonate TRC CAS 34232-17-2