3-O-Methylducheside A, 97%

cas: 62218-23-9 — see every product listed under this CAS number, including other names

3-O-Methylducheside A, 97% (CAS 62218-23-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh11EGSO-5mg
cas62218-23-9
size5mg
availability 0.01g
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Available pack sizes

brand size price
Chemat 5mg 4106.00 Pln

properties

purity97%
delivery time3 weeks
Structural formula: {0} (CAS {1})

6-hydroxy-7,14-dimethoxy-13-(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 62218-23-9) is a chemical compound with the molecular formula C21H18O12 and a molecular weight of 462.4 g/mol. IUPAC name: 6-hydroxy-7,14-dimethoxy-13-(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: UDWUZPSSUIWBKB-UHFFFAOYSA-N.

Identity
Molecular formulaC21H18O12
Molecular weight462.4 g/mol
IUPAC name6-hydroxy-7,14-dimethoxy-13-(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
InChIKeyUDWUZPSSUIWBKB-UHFFFAOYSA-N
SMILESCOC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)OC5C(C(C(CO5)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-O-Methylducheside A, 3,3'-Di-O-methylellagic acid 4'-beta-O-xylopyranoside, 3,3'-Di-O-methylellagic acid 4'-O-beta-D-xylopyranoside, 3,8-Di-O-methylellagic acid 2-O-xyloside, 3,3'-Di-O-methyl ellagic acid 4'-O'-D-xylopyranoside
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
6,7-dihydroxy-14-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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 C21H18O12
6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
6,14-dihydroxy-7-methoxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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 C21H18O12
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H18O12

Also listed as

3-O-Methylducheside A Biosynth CAS 62218-23-9