64199-78-6

Basic information

• Product Name: barbinervic acid
• Synonyms: barbinervic acid;(4S)-3α,19,24-Trihydroxyurs-12-en-28-oic acid;(3alpha,4beta)-3,19,23-Trihydroxyurs-12-en-28-oic acid
• CAS NO: 64199-78-6
• Molecular Formula: C₃₀H₄₈O₅
• Molecular Weight: 488.7
• Mol File: 64199-78-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 278-280℃
• Boiling Point: 622.8°C at 760 mmHg
• Flash Point: 344.5°C
• Appearance: /
• Density: 1.19g/cm³
• Vapor Pressure: 4.05E-18mmHg at 25°C
• Refractive Index: 1.58
• PKA: 4.47±0.70(Predicted)
• CAS DataBase Reference: barbinervic acid(CAS DataBase Reference)
• NIST Chemistry Reference: barbinervic acid(64199-78-6)
• EPA Substance Registry System: barbinervic acid(64199-78-6)

Safety Data

• Hazardous Substances Data: 64199-78-6(Hazardous Substances Data)

Usage

Description

Barbinervic acid is a bioactive iridoid compound found in the roots of the medicinal plant Barleria prionitis, also known as the porcupine flower. It is known for its diverse biological activities, including anti-inflammatory, antioxidant, and anticancer properties.
Used in Pharmaceutical Industry:
Barbinervic acid is used as an anti-inflammatory agent for its potent anti-inflammatory effects, making it a potential therapeutic agent for the treatment of various inflammatory diseases.
Used in Oncology:
Barbinervic acid is used as a natural chemotherapeutic agent for its promising anticancer activity in preclinical studies, indicating its potential in the development of novel cancer treatments.
Overall, barbinervic acid is a bioactive compound with significant pharmaceutical potential, and further research into its therapeutic properties is warranted.

InChI:InChI=1/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

Relevant articles and documents

The Structure of Rotungenoside, a New Bitter Triterpene Glucoside from Ilex Rotunda

A new bitter triterpene ester glucoside have been isolated along with known bitter triterpene glucoside peduncloside and some minor triterpenes ulsolic acid, rotundic acid, and rotungenic acid from the unripe fruits of Ilex rotunda.The structure was characterized as β-D-glucopyranosyl 3β,19α,24-trihydroxyurs-12-en-28-oate by spectral data and chemical mens.