ChemicalBook--->CAS DataBase List--->73069-27-9

73069-27-9

73069-27-9 Structure

73069-27-9 Structure
IdentificationBack Directory
[Name]

benzo[1,2-b:3,4-b']dipyran-9-ylester, (2Z)-
[CAS]

73069-27-9
[Synonyms]

(+)-Praeruptorin A
3,4-b'dipyran-9-ylester
3,4-b']dipyran-9-ylester, (2Z)-
benzo[1,2-b:3,4-b']dipyran-9-ylester, (2Z)-
(9S,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl](Z)-2-methylbut-2-enoate
9,10-Dihydro-9β-[(Z)-1-oxo-2-methyl-2-butenyloxy]-10β-(acetyloxy)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
(Z)-2-Methyl-2-butenoic acid [(9S,10S)-10β-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran]-9β-yl ester
2-Butenoic acid, 2-methyl-, (9S,10S)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-
[Molecular Formula]

C21H22O7
[MDL Number]

MFCD11111496
[MOL File]

73069-27-9.mol
[Molecular Weight]

386.395
Chemical PropertiesBack Directory
[Melting point ]

136-137 °C(Solv: ethanol (64-17-5))
[Boiling point ]

486.8±45.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
[form ]

Powder
[color ]

White to off-white
[InChI]

InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m0/s1
[InChIKey]

XGPBRZDOJDLKOT-NXIDYTHLSA-N
[SMILES]

C(O[C@@H]1C(C)(C)OC2=CC=C3C=CC(=O)OC3=C2[C@@H]1OC(C)=O)(=O)/C(/C)=C\C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H317
[Precautionary statements ]

P261-P264-P272-P280-P302+P352-P305+P351+P338-P333+P313-P321-P337+P313-P363-P501
Hazard InformationBack Directory
[Chemical Properties]

White needle-like crystals, fat-soluble, easily soluble in organic solvents.
[Uses]

Praeruptorin A (Standard) is the analytical standard of Praeruptorin A. This product is intended for research and analytical applications. Praeruptorin A is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin A exerts anti-inflammatory effects in vitro through inhibition of NF-κB activation.
[Biological Activity]

Praeruptorin A is a major bioactive constituent of Peucedanum praeruptorum. It exerts anti-inflammatory effects by inhibiting NF-κB activation.
[target]

TargetValue
NF-κB
()
Spectrum DetailBack Directory
[Spectrum Detail]

(+)-Praeruptorin A(73069-27-9)1HNMR
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