3,7-Di-O-methylducheside A

Inquiry

For Research Use Only.

Category

Phenols

Cat.No.

NP4727

CAS

136133-08-9

Product Name

3,7-Di-O-methylducheside A

Structure

Product Details

Description

3,7-Di-O-methylducheside A is purified from the roots of Diplopanax stachyanthus.

Synonyms

3,7,8-Tri-O-methylellagic acid 2-O-xyloside

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

Molecular Weight

476.39

Molecular Formula

C22H20O12

Canonical SMILES

COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC5C(C(C(CO5)O)O)O)C(=O)O2)OC

InChI

InChI=1S/C22H20O12/c1-28-10-4-7-12-13-8(21(27)33-18(12)16(10)29-2)5-11(17(30-3)19(13)34-20(7)26)32-22-15(25)14(24)9(23)6-31-22/h4-5,9,14-15,22-25H,6H2,1-3H3/t9-,14+,15-,22+/m1/s1

InChIKey

QXQRDKINPINYFD-SCBIHCBJSA-N

Boiling Point

804.2±65.0 °C(Predicted)

Purity

97.0%

Density

1.625±0.06 g/cm3(Predicted)

Appearance

Powder

pKa

12.47±0.70(Predicted)

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