6-O-p-Methoxycinnamoylcatalpol

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3751

CAS

121710-02-9

Product Name

6-O-p-Methoxycinnamoylcatalpol

Structure

Product Details

Description

6-O-p-Methoxycinnamoylcatalpol isolated from the herbs of Rehmannia glutinosa (Gaert.) Libosch. ex Fisch. et Mey.

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-(4-methoxyphenyl)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-(4-methoxyphenyl)prop-2-enoate

Molecular Weight

522.5

Molecular Formula

C25H30O12

Canonical SMILES

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

InChI

InChI=1S/C25H30O12/c1-32-13-5-2-12(3-6-13)4-7-16(28)35-21-14-8-9-33-23(17(14)25(11-27)22(21)37-25)36-24-20(31)19(30)18(29)15(10-26)34-24/h2-9,14-15,17-24,26-27,29-31H,10-11H2,1H3/b7-4+/t14-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1

InChIKey

SYHPDMZDZYFZLU-WEWXOPRLSA-N

Boiling Point

772.7±60.0°C (Predicted)

Purity

97.5%

Density

1.54±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

12.79±0.70(Predicted)

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