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| CAS No.: | 4026-97-5 |
|---|---|
| Name: | (3beta,5beta,8xi,9xi,15beta,16beta)-3,16-bis(acetyloxy)-14,15-epoxybufa-20,22-dienolide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C28H36O7 |
| Molecular Weight: | 484.64 |
| Density: | 1.27g/cm3 |
| Boiling Point: | 598.9°Cat760mmHg |
| Flash Point: | 254.7°C |
| Hazard Symbols: | A poison. |
| Safety: | A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors. |
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Chemistry
Empirical Formula: C28H36O7
Molecular Weight: 484.5812g/mol
Systematic Name: (3beta,5beta,8xi,9xi,15beta,16beta)-3,16-bis(acetyloxy)-14,15-epoxybufa-20,22-dienolide
SMILES: O=C\1O\C=C(/C=C/1)[C@@H]4[C@@]6(C)CCC3C(CC[C@@H]2C[C@@H](OC(=O)C)CC[C@@]23C)[C@]65O[C@@H]5[C@@H]4OC(=O)C
InChI: InChI=1/C28H36O7/c1-15(29)33-19-9-11-26(3)18(13-19)6-7-21-20(26)10-12-27(4)23(17-5-8-22(31)32-14-17)24(34-16(2)30)25-28(21,27)35-25/h5,8,14,18-21,23-25H,6-7,9-13H2,1-4H3/t18-,19+,20?,21?,23+,24-,25-,26+,27-,28-/m1/s1
InChIKey: DXSNTGMCQRLLQF-GLFSEUORBF
Surface Tension: 51 dyne/cm
Density: 1.27 g/cm3
Flash Point: 254.7 °C
Boiling Point: 598.9 °C at 760 mmHg
Enthalpy of Vaporization: 89.18 kJ/mol
Vapour Pressure: 2.64E-14 mmHg at 25°C
Structure of Acetylcinobufagin (CAS NO.4026-97-5):
Toxicity Data With Reference
| 1. | ivn-cat LD50:590 µg/kg | 85ELDJ Die Herzwirksamen Glykoside Baumgarten, G. andW. Forster,Leipzig, Germany.: VEB Georg Thieme,1963,187. |
Safety Profile
A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Acetylcinobufagin , its cas register number is 4026-97-5. It also can be called Acetylcinobufagin and (3beta,5beta,8xi,9xi,15beta,16beta)-3,16-bis(acetyloxy)-14,15-epoxybufa-20,22-dienolide .When heated to decomposition it emits acrid smoke and irritating vapors.If Acetylcinobufagin (CAS NO.4026-97-5) is swallowed, seek medical advice immediately.