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19573-01-4

19573-01-4 Structure

19573-01-4 Structure
IdentificationBack Directory
[Name]

BYAKANGELICIN
[CAS]

19573-01-4
[Synonyms]

yakangelicin
BYAKANGELICIN
(Rac)-Byakangelicin
Byakangelicin 19573-01-4
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-
Byakangelicin 9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
[Molecular Formula]

C17H18O7
[MDL Number]

MFCD00468051
[MOL File]

19573-01-4.mol
[Molecular Weight]

334.32
Chemical PropertiesBack Directory
[Boiling point ]

571.5±50.0 °C(Predicted)
[density ]

1.373
[storage temp. ]

-20°C
[solubility ]

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

Powder
[pka]

13.67±0.20(Predicted)
[color ]

Off-white to light yellow
[InChI]

1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
[InChIKey]

PKRPFNXROFUNDE-UHFFFAOYSA-N
[SMILES]

[o]1c2c(c(c3c([o]cc3)c2OCC(O)C(O)(C)C)OC)cc[c]1=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

Yellow crystals, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from Angelica dahurica (Fisch.ex Hoffm.) Benth.et Hook.f.ex Franch.et Sav.
[Uses]

(Rac)-Byakangelicin (Standard) is the analytical standard of (Rac)-Byakangelicin. This product is intended for research and analytical applications. (Rac)-Byakangelicin is a racemate of Byakangelicin mainly isolated from the genus Angelica. Byakangelicin is an aldose-reductase inhibitor with an IC50 value of 6.2 μM.
[Definition]

ChEBI: Mukurozidiol is a member of psoralens.
[Synthesis]

A method for the preparation of Angelica dahurica sinensis which is favorable for mass production operation and high product purity. The following technical scheme is used: take the crude powder of Angelica dahurica root, add it to CO2 supercritical extra
[target]

P450 (e.g. CYP17) | Sodium Channel | ATPase | Potassium Channel
Spectrum DetailBack Directory
[Spectrum Detail]

BYAKANGELICIN(19573-01-4)1HNMR
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