CAS 14534-61-3|Isochlorogenic acid B

Introduction：Basic information about CAS 14534-61-3|Isochlorogenic acid B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Isochlorogenic acid B BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Isochlorogenic acid B
CAS Number	14534-61-3	Molecular Weight	516.451
Density	1.6±0.1 g/cm3	Boiling Point	820.8±65.0 °C at 760 mmHg
Molecular Formula	C₂₅H₂₄O₁₂	Melting Point	/
MSDS	/	Flash Point	278.5±27.8 °C

Names

Name	(1S,3R,4R,5R)-3,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
Synonym	More Synonyms

Isochlorogenic acid B BiologicalActivity

Description	3,4-Dicaffeoylquinic acid is a reference substance of a common phytochemical found in Echinacea (Echinacea sp.); dietary supplement, herb, or plant testing applications with this reference material include material characterization, adulterant identification, or method validation.
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>OthersNatural Products >>Phenylpropanoids
References	[1]. Takemura T, et al. 3,4-Dicaffeoylquinic Acid, a Major Constituent of Brazilian Propolis, Increases TRAIL Expression and Extends the Lifetimes of Mice Infected with the Influenza A Virus. Evid Based Complement Alternat Med. 2012;2012:946867.

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	820.8±65.0 °C at 760 mmHg
Molecular Formula	C₂₅H₂₄O₁₂
Molecular Weight	516.451
Flash Point	278.5±27.8 °C
Exact Mass	516.126770
PSA	211.28000
LogP	0.72
Vapour Pressure	0.0±3.1 mmHg at 25°C
Index of Refraction	1.719
InChIKey	UFCLZKMFXSILNL-RVXRWRFUSA-N
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1
Storage condition	?20°C

Safety Information

Hazard Codes	Xn
Safety Phrases	24/25

Synonyms

Cyclohexanecarboxylic acid, 3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-

4,5-di-O-trans-caffeoyl-D-quinic acid

Quinic acid 3,4-di-O-caffeate

(1S,3R,4R,5R)-3,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid

IsochlorogenicacidB

(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-4-{[(2E)-3-(3,5-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid

ISOCHLOROGENIC ACID B(RG)

(1S,3R,4R,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R)-3,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1,5-dihydroxycyclohexanecarboxylic acid

Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4-[[(2E)-3-(3,5-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-

3,4-Dicaffeoylquinic acid

4,5-di-O-caffeoylquinic acid

4,5-di-O-trans-caffeoylquininc acid

3,4-Di-O-caffeoylquinic acid

Isochlorogenic acid B(3,4')

Isochlorogenic acid B

Recommended......