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62218-23-9

62218-23-9 Structure

62218-23-9 Structure
IdentificationBack Directory
[Name]

3-O-Methylducheside A
[CAS]

62218-23-9
[Synonyms]

3-O-Methylducheside A
3,8-Di-O-methylellagic acid 2-O-xyloside
3,3‘-Di-O-methylellagic acid 4‘-xylopyranoside
3,3′-Di-O-methyl-4-O-((β-D-xylopyranosyl)ellagic acid
3,3'-Di-O-methylellagic acid 4'-beta-O-xylopyranoside
3,3'-Di-O-methylellagic acid 4'-O-beta-D-xylopyranoside
3,3'-Di-O-methyl-4-O-(beta-D-xylopyranosyl)ellagic acid
7-Hydroxy-3,8-dimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-ylβ-D-xylopyranoside
2-Hydroxy-3,8-dimethoxy-7-(β-D-xylopyranosyloxy)-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-hydroxy-3,8-dimethoxy-7-(β-D-xylopyranosyloxy)-
[Molecular Formula]

C21H18O12
[MDL Number]

MFCD05260674
[MOL File]

62218-23-9.mol
[Molecular Weight]

462.36
Chemical PropertiesBack Directory
[Melting point ]

227-229 °C (decomp)
[Boiling point ]

843.5±65.0 °C(Predicted)
[density ]

1.728±0.06 g/cm3(Predicted)
[form ]

neat
[pka]

7.56±0.20(Predicted)
[BRN ]

1612181
[InChIKey]

UDWUZPSSUIWBKB-LAPUEANGSA-N
[SMILES]

COc1c(O)cc2C(=O)Oc3c(OC)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc5C(=O)Oc1c2-c35
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

3
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

3-O-Methylducheside A (compound 5) can be isolated from Potentilla argentea L. (Rosaceae)[1].
[References]

[1] Micha1 Tomczyk, et al. Secondary metabolites from Potentilla argentea. Biochemical Systematics and Ecology. 2006, 36, 10.
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