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206978-14-5

206978-14-5 Structure

206978-14-5 Structure
IdentificationBack Directory
[Name]

EPOXYBERGAMOTTIN
[CAS]

206978-14-5
[Synonyms]

EPOXYBERGAMOTTIN
6',7'-Epoxybergamottin
5-(6',7'-Epoxy)geranyloxypsoralen
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-5-(3,3-dimethyloxiranyl)-3-methyl-2-pentenyl]oxy]-
4-[[(2E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-penten-1-yl]oxy]-7H-Furo[3,2-g][1]benzopyran-7-one
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-penten-1-yl]oxy]-
[Molecular Formula]

C21H22O5
[MDL Number]

MFCD16036213
[MOL File]

206978-14-5.mol
[Molecular Weight]

354.4
Chemical PropertiesBack Directory
[Melting point ]

69-70 °C
[Boiling point ]

517.8±50.0 °C(Predicted)
[density ]

1.210
[storage temp. ]

-20°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.50 mg/ml; Ethanol: 10 mg/ml
[form ]

neat
[color ]

White to off-white
[BRN ]

7827230
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

6',7'-Epoxybergamottin is a metabolism of Penicillium digitatum. 6',7'-Epoxybergamottin can be used in study the cytochrome P450 3A4 inhibitory activity[1].
[Definition]

ChEBI:Epoxybergamottin is a member of psoralens.
[References]

[1] Myung K, et al. Biotransformations of 6',7'-dihydroxybergamottin and 6',7'-epoxybergamottin by the citrus-pathogenic fungi diminish cytochrome P450 3A4 inhibitory activity. Bioorg Med Chem Lett. 2012 Mar 15;22(6):2279-82. DOI:10.1016/j.bmcl.2012.01.081
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