Ceanothic acid

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6523

CAS

21302-79-4

Product Name

Ceanothic acid

Structure

Product Details

Description

Ceanothic acid also called 2α-Carboxy-3β-hydroxy-A(1)-nor-5α-lupan-20(29)-en-28-oic acid;Emmolic acid, is a natural triterpenoid isolated from the seeds of Zizyphus jujuba.

Synonyms

2α-Carboxy-3β-hydroxy-A(1)-nor-5α-lupan-20(29)-en-28-oic acid;Emmolic acid

IUPAC Name

(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

Molecular Weight

486.7

Molecular Formula

C30H46O5

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O

InChI

1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1

InChIKey

WLCHQSHZHFLMJH-VILVJDKQSA-N

Boiling Point

609.0±55.0 °C(Predicted)

Melting Point

356-357 °C

Flash Point

336.1°C

Purity

>98%

Density

1.149g/cm3

Appearance

Powder

Alpha

D +38° (c = 1.20 in ethanol)

pKa

4.46±0.70(Predicted)

Refractive Index

1.549

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