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17878-69-2

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Basic Information
CAS No.: 17878-69-2
Name: O-METHYLSTERIGMATOCYSTIN
Article Data: 5
Molecular Structure:
Molecular Structure of 17878-69-2 (O-METHYLSTERIGMATOCYSTIN)
Formula: C19H14O6
Molecular Weight: 338.317
Synonyms: 8-O-Methyl-bostrycoidin;6-hydroxy-7,9-dimethoxy-3-methyl-benzo[g]isoquinoline-5,10-dione;8-O-Methylsterigmatocystin;O-METHYLSTERIGMATOCYSTIN;6-hydroxy-7,9-dimethoxy-3-methylbenzoisoquinoline-5,10-quinone;Benz[g]isoquinoline-5,10-dione,6-hydroxy-7,9-dimethoxy-3-methyl;
Density: 1.407g/cm3
Melting Point: 265℃
Boiling Point: 564.7°Cat760mmHg
Flash Point: 251.8°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 67.13000
LogP: 3.30940
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Chemistry

Systematic Name: (3aR,12cS)-6,8-Dimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one 
Synonyms of O-Methylsterigmatocystin (CAS NO.17878-69-2): 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-6,8-dimethoxy-, (3aR-cis)- ; O-Methyl sterigmatocystin ; Sterigmatocystin, O-methyl- (6CI)        
CAS NO: 17878-69-2                               
Molecular Formula: C19H14O6                  
Molecular Weight: 338.3109                            
Molecular Structure :
H bond acceptors:  6 
H bond donors:  0 
Freely Rotating Bonds:  2 
Polar Surface Area:  63.22 Å2 
Index of Refraction:  1.639 
Molar Refractivity:  86.54 cm3 
Molar Volume:  240.3 cm3  
Surface Tension:  53.2 dyne/cm 
Density:  1.407 g/cm3 
Flash Point:  251.8 °C 
Enthalpy of Vaporization:  84.83 kJ/mol 
Boiling Point:  564.7 °C at 760 mmHg 
Vapour Pressure:  8.98E-13 mmHg at 25°C 

Toxicity Data With Reference

1.    

dns-rat-lvr 1 µmol/L

     MUREAV    Mutation Research. 173 (1986),217.
2.    

dni-mky-kdy 2 mg/L

     JNCIAM    Journal of the National Cancer Institute. 48 (1972),1647.
3.    

uns-mky-kdy 2 mg/L

     JNCIAM    Journal of the National Cancer Institute. 48 (1972),1647.

Safety Profile

Mutation data reported. When O-Methylsterigmatocystin (CAS NO.17878-69-2) is heated to decomposition ,it emits acrid smoke and irritating vapors.