ChemicalBook--->CAS DataBase List--->14348-22-2

14348-22-2

14348-22-2 Structure

14348-22-2 Structure
IdentificationBack Directory
[Name]

CNIDILIN
[CAS]

14348-22-2
[Synonyms]

CNIDILIN
Knidilin
Isophellopterin
5-(Isopentenyloxy)-8-methoxypsoralen
4-[(3-Methyl-2-butenyl)oxy]-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
9-methoxy-4-[(3-methyl-2-butenyl)oxy]-7H-Furo[3,2-g][1]benzopyran-7-one
7H-Furo[3,2-g][1]benzopyran-7-one,9-methoxy-4-[(3-methyl-2-buten-1-yl)oxy]-
[Molecular Formula]

C17H16O5
[MDL Number]

MFCD32004085
[MOL File]

14348-22-2.mol
[Molecular Weight]

300.31
Chemical PropertiesBack Directory
[Melting point ]

117-118℃
[Boiling point ]

480.435±45.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.243
[storage temp. ]

-20°C
[solubility ]

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

Powder
[color ]

White to off-white
[InChI]

1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3
[InChIKey]

NNDOCYLWULORAM-UHFFFAOYSA-N
[SMILES]

O=C1C=CC2=C(OCC=C(C)C)C3=C(OC=C3)C(OC)=C2O1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

It is soluble in organic solvents such as methanol, ethanol, and DMSO, and is derived from Angelica dahurica.
[Uses]

Cnidilin is one of the major bioactive constituents of Radix Angelicae dahuricae. Used as a treatment of headache, toothache, abscess, furunculosis and acne.
[Definition]

ChEBI: Cnidilin is a member of psoralens.
Spectrum DetailBack Directory
[Spectrum Detail]

CNIDILIN(14348-22-2)1HNMR
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