3,7-Di-o-methylducheside A

cas: 136133-08-9 — see every product listed under this CAS number, including other names

3,7-Di-o-methylducheside A (CAS 136133-08-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberLFA13308-10mg
cas136133-08-9
size10mg
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properties

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

6,7,14-trimethoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione (CAS 136133-08-9) is a chemical compound with the molecular formula C22H20O12 and a molecular weight of 476.4 g/mol. IUPAC name: 6,7,14-trimethoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione. InChIKey: QXQRDKINPINYFD-SCBIHCBJSA-N.

Identity
Molecular formulaC22H20O12
Molecular weight476.4 g/mol
IUPAC name6,7,14-trimethoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
InChIKeyQXQRDKINPINYFD-SCBIHCBJSA-N
SMILESCOC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C(=O)O2)OC

Computed by PubChem (NCBI)

Synonyms: 3,7-Di-O-methylducheside A, 3,7,8-Tri-O-methylellagic acid 2-O-xyloside, orb1681092, 3,3',4-tri-O-methylellagic acid-4'-O-beta-D-xyloside
Isomers (same molecular formula)
methyl (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate C22H20O12
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C22H20O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid C22H20O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid C22H20O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid C22H20O12
(2S,3S,4S,5R,6S)-6-(5,8-dihydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C22H20O12
methyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate C22H20O12
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C22H20O12
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C22H20O12

Also listed as

3,7-Di-O-methylducheside A, ≥95%, ≥95% Chemat CAS 136133-08-9