3-O-Coumaroylasiatic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6397

CAS

143773-52-8

Product Name

3-O-Coumaroylasiatic acid

Structure

Product Details

Description

3-O-Coumaroylasiatic acid is a natural triterpenoid compound found in several plants.

Synonyms

[2alpha,3beta(E),4alpha]-2,23-Dihydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-urs-12-en-28-oic acid

IUPAC Name

(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Molecular Weight

634.842

Molecular Formula

C39H54O7

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1C)C)C(=O)O

InChI

InChI=1S/C39H54O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,23-24,28-30,32-33,40-42H,13,15-22H2,1-6H3,(H,44,45)/b14-9+/t23-,24+,28-,29-,30-,32+,33+,35+,36+,37-,38-,39+/m1/s1

InChIKey

WKVZBLIEJQJTCN-KJVBOBAHSA-N

Boiling Point

751.8±60.0 °C(Predicted)

Purity

>95%

Density

1.2±0.1 g/cm3

Appearance

Powder

pKa

4.65±0.70(Predicted)

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