Barbinervic acid

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6434

CAS

64199-78-6

Product Name

Barbinervic acid

Structure

Product Details

Description

Barbinervic acid is a natural triterpenoid compound found in the leaves of Diospyros kak.

Synonyms

(4S)-3α,19,24-Trihydroxyurs-12-en-28-oic acid;(3alpha,4beta)-3,19,23-Trihydroxyurs-12-en-28-oic acid

IUPAC Name

(1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Molecular Weight

488.7

Molecular Formula

C30H48O5

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)O

InChI

InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22-,23-,25+,26-,27-,28-,29-,30+/m1/s1

InChIKey

YLHQFGOOMKJFLP-JGLQYCRZSA-N

Boiling Point

622.8±55.0 °C(Predicted)

Melting Point

278-280 °C

Purity

>95%

Density

1.2±0.1 g/cm3

Appearance

Powder