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25782-30-3

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Basic Information
CAS No.: 25782-30-3
Name: PEDALITINTETRAACETATE
Article Data: 2
Molecular Structure:
Molecular Structure of 25782-30-3 (PEDALITINTETRAACETATE)
Formula: C24H20 O11
Molecular Weight: 484.416
Synonyms: Flavone,3',4',5,6-tetrahydroxy-7-methoxy-, tetraacetate (8CI); Pedalitin tetraacetate(6CI)
Density: 1.369g/cm3
Boiling Point: 652.4°C at 760 mmHg
Flash Point: 280.3°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 144.64000
LogP: 3.16980
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Chemistry

Empirical Formula of Pedalitin tetraacetate (CAS NO.25782-30-3): C24H20O11
Molecular Weight: 484.409 g/mol
Index of Refraction: 1.571
Density: 1.369 g/cm3
Flash Point: 280.3 °C
Enthalpy of Vaporization: 96.13 kJ/mol
Boiling Point: 652.4 °C at 760 mmHg
Vapour Pressure: 6.68E-17 mmHg at 25 °C
Structure of Pedalitin tetraacetate (CAS NO.25782-30-3):
                       
IUPAC Name: [6-Acetyloxy-2-(3,4-diacetyloxyphenyl)-7-methoxy-4-oxochromen-5-yl] acetate
Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H20O11/c1-11(25)31-17-7-6-15(8-19(17)32-12(2)26)18-9-16(29)22-20(35-18)10-21(30-5)23(33-13(3)27)24(22)34-14(4)28/h6-10H,1-5H3
InChIKey: SEYUHKMAZTWYIC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 100 µLg/plate

     ENMUDM    Environmental Mutagenesis. 3 (1981),401.

Safety Profile

Mutation data reported. When heated to decomposition Pedalitin tetraacetate (CAS NO.25782-30-3) emits acrid smoke and irritating vapors.

Specification

 Pedalitin tetraacetate , its cas register number is 25782-30-3. It also can be called 7-Methoxy-3',4',5,6 tetrahydroxyflavone tetraacetate ; 4H-1-Benzopyran-4-one, 5,6-bis(acetyloxy)-2-(3,4-bis(acetyloxy)phenyl)-7-methoxy- (9CI) ; and Flavone, 3',4',5,6-tetrahydroxy-7-methoxy-, tetraacetate .