ChemicalBook--->CAS DataBase List--->5058-13-9

5058-13-9

5058-13-9 Structure

5058-13-9 Structure
IdentificationBack Directory
[Name]

Columbianadin
[CAS]

5058-13-9
[Synonyms]

ZosiMin
ColuMbianin
Columbianadin
Columbianetin angelate
Columbianadin 5058-13-9
Columbianadin Columbianadin
Columbianadin, 98%, from Angelica pubescens Maxim.f. biserrata Shan et Yuan
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
(S)-2-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate
(Z)-2-Methylbut-2-enoic Acid (S)-2-(2-Oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl Ester
(S)-8-[1-[(Z)-2-Methyl-2-butenoyloxy]-1-methylethyl]-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
2-Butenoic acid, 2-methyl-, 1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester, (2Z)-
[Molecular Formula]

C19H20O5
[MDL Number]

MFCD07781426
[MOL File]

5058-13-9.mol
[Molecular Weight]

328.36
Chemical PropertiesBack Directory
[Melting point ]

117.0 to 121.0 °C
[Boiling point ]

482.3±45.0 °C(Predicted)
[density ]

1.232±0.06 g/cm3(Predicted)
[solubility ]

DMSO : 33.33 mg/mL (101.50 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
[form ]

powder to crystal
[color ]

White to Almost white
Safety DataBack Directory
[Safety Statements ]

24/25
[HS Code ]

29329990
Hazard InformationBack Directory
[Uses]

Columbianedin, a coumarin compounds, is one of the main bioactive constituents of Angelica pubescens Maxim f. biserrata Shan et Yuan and is studied for its antiinflammatory and analgesic properties. Potential anti-tumor agent. Cytotoxic.
[Definition]

ChEBI: Columbianadin is an alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as an anti-inflammatory agent, an apoptosis inducer, a hepatoprotective agent, an antineoplastic agent, a rat metabolite and a plant metabolite. It is a furanocoumarin and an alpha,beta-unsaturated carboxylic ester. It is functionally related to an angelic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

Columbianadin(5058-13-9)1HNMR
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