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ChemicalBook--->CAS DataBase List--->14534-61-3

14534-61-3

14534-61-3 Structure

14534-61-3 Structure
IdentificationBack Directory
[Name]

Isochlorogenic Acid B
[CAS]

14534-61-3
[Synonyms]

Isochlorogenic acid B
3,4-Dicaffeoylquinic acid
ISOCHLOROGENIC ACID B(RG)
3,4-Isochlorogenic acid B
Isochlorogenic acid B(3,4')
Quinic acid 3,4-di-O-caffeate
Isochlorogenic acid B, froM Lonicera japonica
Isochlorogenic acid B,3,4-Dicaffeoylquinic acid
Isochlorogenic acid B, 98%, from Lonicera japonica Thunb.
1β,3β-Dihydroxy-4β,5α-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α-cyclohexanecarboxylic acid
(1S)-4β,5α-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β-dihydroxycyclohexanecarboxylic acid
(1S)-1α,5α-Dihydroxy-3β,4α-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β-cyclohexanecarboxylic acid
(1S,3R,4R,5R)-3,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylicaci
(1S,3R,4R,5R)-3,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-
[Molecular Formula]

C25H24O12
[MDL Number]

MFCD22375481
[MOL File]

14534-61-3.mol
[Molecular Weight]

516.45
Chemical PropertiesBack Directory
[Melting point ]

>117°C (sub.)
[Boiling point ]

810.8±65.0 °C(Predicted)
[density ]

1?+-.0.1 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

Methanol (Slightly)
[form ]

Solid
[pka]

3.70±0.50(Predicted)
[color ]

Off-White to Light Yellow
[LogP]

0.890 (est)
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29189900
Hazard InformationBack Directory
[Uses]

Isochlorgenic Acid is shown to provide antioxidant and DNA-protective activities.
[Definition]

ChEBI: Isochlorogenic acid b is a quinic acid.
[Biological Activity]

3,4-Di-O-caffeoylquinic acidalong with 3,5-dicaffeoylquinic acid and luteolin-7-O-glucosideis a component of the medicinal herb Youngia japonica. It has known antiviral activity and along with 3,5,-dicaffeoylquinic acidshows activity against respiratory syncyntial virus (RSV). 3,4-COQ elicits antioxidant effects which mediate its neuroprotective effects against in vitro retinal damage. It also exerts cytoprotective effects against oxidative damage in bone marrow-derived mesenchymal stem cells (bmMSCs).
[target]

PDE-5
Spectrum DetailBack Directory
[Spectrum Detail]

Isochlorogenic Acid B(14534-61-3)1HNMR
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