ChemicalBook--->CAS DataBase List--->53696-74-5

53696-74-5

53696-74-5 Structure

53696-74-5 Structure
IdentificationMore
[Name]

Armillarisin A
[CAS]

53696-74-5
[Synonyms]

larisin A
Armillarisin
ARMILLARISIN A
Armillarisinum
ARMILLARISINUM A
amillaria mellea powder
3-acetyl-5-hydroxymethyl-7-hydroxycoumarin
3-acetyl-5-hydroxylmetyl-7-hydroxycoumarin
3-ACETYL-5-HYDROXYLMETHYL-7-HYDROXYCOUMARIN
3-Acetyl-7-hydroxy-5-(hydroxyMethyl)-2H-chroMen-2-one
3-acetyl-7-hydroxy-5-(hydroxymethyl)-2h-1-benzopyran-2-on
3-acetyl-7-hydroxy-5-(hydroxymethyl)-2h-1-benzopyran-2-one
2H-1-Benzopyran-2-one,3-acetyl-7-hydroxy-5-(hydroxyMethyl)-
[EINECS(EC#)]

215-749-0
[Molecular Formula]

C12H10O5
[MDL Number]

MFCD01662561
[Molecular Weight]

234.2
[MOL File]

53696-74-5.mol
Chemical PropertiesBack Directory
[Melting point ]

250-255°C
[Boiling point ]

565.0±50.0 °C(Predicted)
[density ]

1.476±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Solid
[pka]

7.10±0.20(Predicted)
[color ]

Light yellow to green yellow
[InChI]

InChI=1S/C12H10O5/c1-6(14)9-4-10-7(5-13)2-8(15)3-11(10)17-12(9)16/h2-4,13,15H,5H2,1H3
[InChIKey]

XVZWWNMZVZWQKU-UHFFFAOYSA-N
[SMILES]

C1(=O)OC2=CC(O)=CC(CO)=C2C=C1C(C)=O
[CAS DataBase Reference]

53696-74-5(CAS DataBase Reference)
Hazard InformationBack Directory
[Uses]

Armillarisin A is a daphnetin analog with analgesic effects.
[IC 50]

IL-4; IL-1β
[storage]

4°C, protect from light, stored under nitrogen
Spectrum DetailBack Directory
[Spectrum Detail]

Armillarisin A(53696-74-5)1HNMR
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