4'-O-trans-p-Coumaroylmussaenoside

Inquiry

For Research Use Only.

Category

Iridoids

Cat.No.

NP3835

CAS

1246012-27-0

Product Name

4'-O-trans-p-Coumaroylmussaenoside

Structure

Product Details

Description

4'-O-trans-p-Coumaroylmussaenoside isolated from the leaves of Callicarpa bodinieri.

Synonyms

Methyl (1S,4aS,7S,7aS)-7-hydroxy-1-({4-O-[(2E)-3-(4-hydroxyphenyl )-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hex ahydrocyclopenta[c]pyran-4-carboxylate

IUPAC Name

methyl (1S,4aS,7S,7aS)-1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Molecular Weight

536.5

Molecular Formula

C26H32O12

Canonical SMILES

CC1(CCC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)O)O)O

InChI

InChI=1S/C26H32O12/c1-26(33)10-9-15-16(23(32)34-2)12-35-24(19(15)26)38-25-21(31)20(30)22(17(11-27)36-25)37-18(29)8-5-13-3-6-14(28)7-4-13/h3-8,12,15,17,19-22,24-25,27-28,30-31,33H,9-11H2,1-2H3/b8-5+/t15-,17-,19-,20-,21-,22-,24+,25+,26+/m1/s1

InChIKey

FGEXYXJRRAKWIL-KPFFXFJGSA-N

Boiling Point

748.6±60.0°C (Predicted)

Purity

> 95%

Density

1.48±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

9.67±0.26(Predicted)

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