3,4-Dihydroxyallylbenzene 3,4-di-O-glucoside

Inquiry

For Research Use Only.

Category

Phenylpropanoids

Cat.No.

NP5522

CAS

454473-97-3

Product Name

3,4-Dihydroxyallylbenzene 3,4-di-O-glucoside

Structure

Product Details

Description

3,4-Dihydroxyallylbenzene 3,4-di-O-glucoside is a natural product found in Piper retrofractum and Alpinia officinarum.

Synonyms

β-D-Glucopyranoside, 2-(β-D-glucopyranosyloxy)-4-(2-propen-1-yl)phenyl-; 12-Bis-O-(β-D-glucopyranosyloxy)-4-allylbenzene; 4-Allyl-2-(β-D-glucopyranosyloxy)phenyl β-D-glucopyranoside; 4-Allyl-o-phenylenebis(beta-D-glucopyranoside)

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol

Molecular Weight

474.46

Molecular Formula

C21H30O12

Canonical SMILES

C=CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C21H30O12/c1-2-3-9-4-5-10(30-20-18(28)16(26)14(24)12(7-22)32-20)11(6-9)31-21-19(29)17(27)15(25)13(8-23)33-21/h2,4-6,12-29H,1,3,7-8H2/t12-,13-,14-,15-,16+,17+,18-,19-,20-,21-/m1/s1

InChIKey

SFQLDKSMEHBZRN-LWZURRPWSA-N

Boiling Point

756.3±60.0°C (Predicted)

Purity

≥95%

Density

1.540±0.06 g/cm3 (Predicted)

Solubility

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate

Appearance

Powder

Storage

Store at -20°C

Form

Powder

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