3-O-Methylducheside A

Datasheet MSDS
Catalog Number
ANC03457
Product Name
3-O-Methylducheside A
CAS Number
62218-23-9
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
Synonyms
2-Hydroxy-3,8-dimethoxy-7-(β-D-xylopyranosyloxy)-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; 3,3′-Di-O-methyl-4-O-((β-D-xylopyranosyl)ellagicacid; 7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-ylβ-D-xylopyranoside
Molecular Formula
C21H18O12
Molecular Weight
462.4
Appearance
Powder
Purity
97.5%
SMILES
COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)OC5C(C(C(CO5)O)O)O)O
InChI
InChI=1S/C21H18O12/c1-28-15-8(22)3-6-11-12-7(20(27)32-17(11)15)4-10(16(29-2)18(12)33-19(6)26)31-21-14(25)13(24)9(23)5-30-21/h3-4,9,13-14,21-25H,5H2,1-2H3
InChI Key
UDWUZPSSUIWBKB-UHFFFAOYSA-N
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