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| CAS No.: | 101489-25-2 |
|---|---|
| Name: | 7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one,1,2,3a,12c-tetrahydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)- (9CI) |
| Molecular Structure: | |
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|
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| Formula: | C19H16 O7 |
| Molecular Weight: | 356.35 |
| Synonyms: | 5-Methoxydihydrosterigmatocystin;7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one,1,2,3a,12c-tetrahydro-6,11-dimethoxy-8-hydroxy-,(3aR-cis); |
| Density: | 1.2878 (rough estimate) |
| Boiling Point: | 409.17°C (rough estimate) |
| Flash Point: | 226.8oC |
| Safety: | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 87.36000 |
| LogP: | 2.89140 |
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Chemistry
Following is the structure of 5-Methoxydihydrosterigmatocystin (CAS NO.101489-25-2):
Empirical Formula: C19H16O7
Molecular Weight: 356.3261 g/mol
Surface Tension: 57.7 dyne/cm
Density: 1.451 g/cm3
Flash Point: 226.8 °C
Enthalpy of Vaporization: 94.25 kJ/mol
Boiling Point: 612.5 °C at 760 mmHg
Vapour Pressure: 1.36E-15 mmHg at 25 °C
Index of Refraction of 5-Methoxydihydrosterigmatocystin (CAS NO.101489-25-2): 1.643
Canonical SMILES: COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5CCOC5O4)OC
InChI: InChI=1S/C19H16O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-4,7-8,19-20H,5-6H2,1-2H3
InChIKey: RCUCNKLTNYOKIJ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dns-rat-lvr 10 µmol/L | MUREAV Mutation Research. 173 (1986),217. |
Safety Profile
Mutation data reported. When heated to decomposition, 5-Methoxydihydrosterigmatocystin (CAS NO.101489-25-2) emits acrid smoke and irritating vapors.
Specification
5-Methoxydihydrosterigmatocystin , its cas register number is 101489-25-2. It also can be called 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-6,11-dimethoxy-8-hydroxy-, (3aR-cis)- . Its classification code is Mutation data.