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Hypericin

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Hypericin / CAS : 548-04-9

Appearance Red to black brown powder UN 2811
HS 29145090 DG Class 0.0
Synonyms Cyclosan; Mycoporphyrin; Hypericum Red; Vimrxyn; 4,5,7,4',5',7'-Hexahydroxy-2,2'-Dimethylnaphthodianthrone; Mycopophyrin; Cyclo-Werrol; Hypericin (Native); 1,3,4,6,8,13-Hexahydroxy-10,11-Dimethylphenanthro[1,10,9,8-Opqra]Perylene-7,14-Dione; 1,3,4,6,8,13-Hexahydroxy-10,11-Dimethylphenanthrol(1,10,9,8,Opqra)Perylene-7,14-Dione
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Properties

Summary

Formula
C30H16O8
Molecular Mass
504.44300
Exact Mass
504.08500
PSA
155.52000
Logp
5.39180
IUPAC
9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione
SMILES
CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

Attribute classification

Matter Classification
organic
Category
Plant and Other Extracts > Herbal Drugs Preparation
API & Intermediate > Nervous System Drugs

Chemical and Physical Properties

Melting Point
299-301°C
Density
1.915±0.06 g/cm3(Predicted)
Boiling Point
1020.3±65.0 °C(Predicted)
Flash Point
584.6ºC
Appearance
Red to black brown powder

Export information

HS Code
29145090
Export Rebate
13%
UN No.
2811
DG-Class
0.0
Risk Code
22-40-43
Safety Label
Xn

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