76-80-2

Name (-)-TEPHROSIN
CAS 76-80-2
Molecular Formula C23H22O7
MDL Number MFCD00238693
Molecular Weight 410.42
MOL File 76-80-2.mol

Chemical Properties

Melting point  198° (218-220°)
Boiling point  450.42°C (rough estimate)
density  1.2284 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Cryst.
pka 10.47±0.40(Predicted)
color  White to off-white
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
InChIKey AQBZCCQCDWNNJQ-AUSIDOKSSA-N
SMILES COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@@]3(O)c2cc1OC

Safety Data

Hazard Codes  N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1

Hazard Information

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