Isochlorogenic acid B

Modify Date: 2024-01-02 09:04:07

Isochlorogenic acid B structure	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	N/A
	MSDS	N/A	Flash Point	278.5±27.8 °C

Use of Isochlorogenic acid B

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.

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

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 >> Others Research Areas >> Others Natural 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.

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
Storage condition	?20°C

Hazard Codes	Xn
Safety Phrases	24/25

N/A

CAS#:485402-20-8

Isochlorogenic ...

CAS#:14534-61-3

Literature: Chemical and Pharmaceutical Bulletin, , vol. 59, # 4 p. 502 - 507

(3aR,4R,7S,8aR)...

CAS#:32384-42-2

Isochlorogenic ...

CAS#:14534-61-3

Literature: Chemical and Pharmaceutical Bulletin, , vol. 59, # 4 p. 502 - 507

Caffeic acid

CAS#:331-39-5

Isochlorogenic ...

CAS#:14534-61-3

Literature: Chemical and Pharmaceutical Bulletin, , vol. 59, # 4 p. 502 - 507

2-Propenoic aci...

CAS#:13788-48-2

Isochlorogenic ...

CAS#:14534-61-3

Literature: Chemical and Pharmaceutical Bulletin, , vol. 59, # 4 p. 502 - 507

4-[(1E)-3-Chlor...

CAS#:98631-72-2

Isochlorogenic ...

CAS#:14534-61-3

Literature: Chemical and Pharmaceutical Bulletin, , vol. 59, # 4 p. 502 - 507

Chlorogenic acid

CAS#:327-97-9

3-mono-O-caffeo...

CAS#:32719-11-2

N/A

CAS#:1258222-08-0

N/A

CAS#:1258222-09-1

Detail

Literature: Journal of Agricultural and Food Chemistry, , vol. 58, # 24 p. 12578 - 12584

1-O-(2,2,2-tric...

CAS#:123716-83-6

Isochlorogenic ...

CAS#:14534-61-3

Literature: Chemical and Pharmaceutical Bulletin, , vol. 59, # 4 p. 502 - 507

Precursor 5
CAS#:331-39-5 Caffeic acid CAS#:13788-48-2 2-Propenoic aci... CAS#:98631-72-2 4-[(1E)-3-Chlor... CAS#:123716-83-6 1-O-(2,2,2-tric...
CAS#:327-97-9 Chlorogenic acid
DownStream 0

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