3-O-Coumaroylarjunolic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6416

CAS

171864-20-3

Product Name

3-O-Coumaroylarjunolic acid

Structure

Product Details

Description

3-O-Coumaroylarjunolic acid is a natural compound isolated from the stems of Poraqueiba sericea.

Synonyms

2alpha,23-Dihydroxy-3beta-[[(E)-3-(4-hydroxyphenyl)propenoyl]oxy]oleana-12-ene-28-oic acid

IUPAC Name

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

Molecular Weight

634.854

Molecular Formula

C39H54O7

Canonical SMILES

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC(=O)C=CC6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C

InChI

InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)26(27(39)21-34)12-13-30-35(3)22-28(42)32(36(4,23-40)29(35)15-16-38(30,37)6)46-31(43)14-9-24-7-10-25(41)11-8-24/h7-12,14,27-30,32,40-42H,13,15-23H2,1-6H3,(H,44,45)/b14-9+/t27-,28+,29+,30+,32-,35-,36-,37+,38+,39-/m0/s1

InChIKey

ZDHQMVKMQGQHJQ-YTYGKHDWSA-N

Boiling Point

748.5±60.0 °C(Predicted)

Purity

97.5%

Density

1.24±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

4.61±0.70(Predicted)

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