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737-52-0

737-52-0 Structure

737-52-0 Structure
IdentificationBack Directory
[Name]

OXYPEUCEDANIN
[CAS]

737-52-0
[Synonyms]

OXYPEUCEDANIN
oxypeucadanin
Oxypencedanin
OXYPEUCEDANIN USP/EP/BP
4-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one
4-(3,3-Dimethylglycidyloxy)-7H-furo[3,2-g][1]benzopyran-7-one
4-[(3,3-Dimethyloxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one
4-(3,3-Dimethyloxiran-2-ylmethoxy)-7H-furo[3,2-g][1]benzopyran-7-one
7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,3-dimethyl-2-oxiranyl)methoxy]-
Oxypeucedanin, 98%, from Angelica biserrata (Shan & C. Q. Yuan) C. Q. Yuan & Shan
[Molecular Formula]

C16H14O5
[MDL Number]

MFCD00076050
[MOL File]

737-52-0.mol
[Molecular Weight]

286.28
Chemical PropertiesBack Directory
[Melting point ]

141-142 °C
[Boiling point ]

469.5±45.0 °C(Predicted)
[density ]

1.320±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Soluble in acetonitrile and chloroform
[form ]

powder
[color ]

White
[Major Application]

food and beverages
[InChI]

InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3
[InChIKey]

QTAGQHZOLRFCBU-UHFFFAOYSA-N
[SMILES]

C1(=O)OC2=CC3OC=CC=3C(OCC3C(C)(C)O3)=C2C=C1
[LogP]

1.740 (est)
Safety DataBack Directory
[WGK Germany ]

WGK 1
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

White powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from Angelica dahurica and Fa Luo Hai.
[Uses]

Oxypeucedanin is a derivative of Psoralen (P839800) which are phytoalexins; they are used by plants in a defensive response to attacks by fungi and insects. They have also shown photosensitizing and phototoxic effects in animals and humans and have been used in photochemotherapy for management of vitiligo, psoriasis, and mycosis fungoides. Used as photochemical probe in biological systems.
[Definition]

ChEBI: (R)-Oxypeucedanin is a member of psoralens.
Spectrum DetailBack Directory
[Spectrum Detail]

OXYPEUCEDANIN(737-52-0)MS
OXYPEUCEDANIN(737-52-0)1HNMR
OXYPEUCEDANIN(737-52-0)IR1
OXYPEUCEDANIN(737-52-0)IR2
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