6-O-(3'',4''-Dimethoxycinnamoyl)catalpol

Inquiry

For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3737

CAS

147714-71-4

Product Name

6-O-(3'',4''-Dimethoxycinnamoyl)catalpol

Structure

Product Details

Description

6-O-(3'',4''-Dimethoxycinnamoyl)catalpol isolated from the herbs of Buddleja asiatica Lour.

Synonyms

(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-1a-(hydroxymeth yl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6 -yl (2E)-3-(3,4-dimethoxyphenyl)acrylate

IUPAC Name

[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Molecular Weight

552.5

Molecular Formula

C26H32O13

Canonical SMILES

COC1=C(C=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OC

InChI

InChI=1S/C26H32O13/c1-33-14-5-3-12(9-15(14)34-2)4-6-17(29)37-22-13-7-8-35-24(18(13)26(11-28)23(22)39-26)38-25-21(32)20(31)19(30)16(10-27)36-25/h3-9,13,16,18-25,27-28,30-32H,10-11H2,1-2H3/b6-4+/t13-,16-,18-,19-,20+,21-,22+,23+,24+,25+,26-/m1/s1

InChIKey

UGUWZDBHHDVSKD-JFBQKNIMSA-N

Boiling Point

784.6±60.0°C (Predicted)

Purity

> 95%

Density

1.54±0.1 g/cm3(Predicted)

Appearance

Powder

Application

anti-hepatotoxic activity

pKa

12.79±0.70(Predicted)

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