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| CAS No.: | 30213-35-5 |
|---|---|
| Name: | 8-[(3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-4-heptanoyl-3-hydroxy-1,5-cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride |
| Molecular Structure: | |
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| Formula: | C26H28 O11 |
| Molecular Weight: | 516.502 |
| Synonyms: | Rubratoxin B,keto; |
| Density: | 1.45g/cm3 |
| Boiling Point: | 809.2°Cat760mmHg |
| Flash Point: | 273.2°C |
| Safety: | A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 170.57000 |
| LogP: | 0.90560 |
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Chemistry
Empirical Formula of Ketorubratoxin B (CAS NO.30213-35-5): C26H28O11
Molecular Weight: 516.4939
Index of Refraction: 1.602
Density: 1.45 g/cm3
Flash Point: 273.2 °C
Enthalpy of Vaporization: 133.96 kJ/mol
Boiling Point: 809.2 °C at 760 mmHg
Vapour Pressure: 2.59E-30 mmHg at 25 °C
Structure of Ketorubratoxin B (CAS NO.30213-35-5):
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Canonical SMILES: CCCCCCC(=O)C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=OO
InChI: InChI=1S/C26H28O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,16,20-22,29-30H,2-5,7-8,10-11H2,1H3
InChIKey: VBNDYNDZONSETH-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD50:20 mg/kg | BCPCA6 Biochemical Pharmacology. 19 (1970),612. |
Safety Profile
A poison by intraperitoneal route. When heated to decomposition Ketorubratoxin B (CAS NO.30213-35-5) emits acrid smoke and irritating vapors.
Specification
Ketorubratoxin B , its cas register number is 30213-35-5. It also can be called Rubratoxin B, keto- .