Hemiphroside B

Inquiry

For Research Use Only.

Category

Phenols

Cat.No.

NP4640

CAS

165338-28-3

Product Name

Hemiphroside B

Structure

Product Details

Description

Hemiphroside B is a natural phenylpropanoid isolated from the herbs of Hydrangea macrophylla.

Synonyms

b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-O-acetyl-b-D-glucopyranosyl)-,4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]

IUPAC Name

[4-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

Molecular Weight

682.6

Molecular Formula

C31H38O17

Canonical SMILES

CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O

InChI

InChI=1S/C31H38O17/c1-14(33)44-13-22-24(39)25(40)26(41)31(46-22)48-29-27(42)30(43-9-8-16-3-6-18(35)20(37)11-16)45-21(12-32)28(29)47-23(38)7-4-15-2-5-17(34)19(36)10-15/h2-7,10-11,21-22,24-32,34-37,39-42H,8-9,12-13H2,1H3

InChIKey

MMSLLYRTBSZHLL-UHFFFAOYSA-N

Boiling Point

943.9±65.0 °C(Predicted)

Purity

>95%

Density

1.61±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

8.43±0.20(Predicted)