ChemicalBook--->CAS DataBase List--->65995-64-4

65995-64-4

65995-64-4 Structure

65995-64-4 Structure
IdentificationBack Directory
[Name]

punicalin
[CAS]

65995-64-4
[Synonyms]

punicalin
PubChem ID: 5388496
PubChem ID: 5464368
4,6-Gallagylglucose
PubChem ID: 92131301
4,6-Gallagyl-D-glucose
Punicalin, mixture of anomers
D-Glucose cyclic 4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]
4-O,6-O-[(aS)-[2,2'-[(5,10-Dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran)-1,6-diyl]bis[3,4,5-trihydroxyphenyl]]dicarbonyl]-β-D-glucopyranose
Punicalin D-Glucose cyclic 4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]
[Molecular Formula]

C34H22O22
[MDL Number]

MFCD09838018
[MOL File]

65995-64-4.mol
[Molecular Weight]

782.526
Chemical PropertiesBack Directory
[Boiling point ]

1548.3±65.0 °C(Predicted)
[density ]

2.036
[storage temp. ]

-20°C
[solubility ]

DMSO: soluble
[form ]

neat
[pka]

1.93±0.60(Predicted)
[color ]

Light yellow to green yellow
[Major Application]

food and beverages
[InChIKey]

IQHIEHIKNWLKFB-ITTSEVFZSA-N
[SMILES]

OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c4c(O)c(O)c5OC(=O)c6c(c(O)c(O)c7OC(=O)c4c5-c67)-c8c(O)c(O)c(O)cc8C(=O)O[C@H]2[C@H](O)[C@H]1O
Safety DataBack Directory
[Precautionary statements ]

P271-P261-P280
[WGK Germany ]

3
[HS Code ]

2938909090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
[Definition]

ChEBI: Punicalin is a tannin.
[in vivo]

Punicalin (5 mg/kg, subcutaneous injection) has an obvious anti-inflammatory effect on carrageenan (HY-125474)-induced metatarsal edema in rats[1].
Punicalin (10 mg/kg, intraperitoneal injection) alleviates LPS (HY-D1056)-induced acute lung injury in mice by inhibiting the production of inflammatory cytokines and MAPK/ NF-κB signaling[5].

Animal Model:Carrageenan (HY-125474)-induced Edema in rats[1]
Dosage:5 mg/kg
Administration:s.c.
Result:Showed significant anti-inflammatory effect against carrageenan induced paw edema at all time intervals, but decreased the effects.with larger dose.
Animal Model:LPS (HY-D1056)-induced acute lung injury mice[5]
Dosage:10 mg/kg
Administration:i.p.
Result:Reduced the mortality and attenuated the severity of lung pathological injury. Ameliorated LPS (HY-D1056)-induced lung edema and vascular leakage.
Spectrum DetailBack Directory
[Spectrum Detail]

punicalin(65995-64-4)MS
punicalin(65995-64-4)1HNMR
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