Products Categories
| CAS No.: | 63979-65-7 |
|---|---|
| Name: | (3beta,5beta,8xi,9xi)-3-(butanoyloxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide |
| Molecular Structure: | |
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| Formula: | C27H38 O7 |
| Molecular Weight: | 474.595 |
| Synonyms: | Butyricacid, strophanthidin ester (4CI) |
| Density: | 1.27g/cm3 |
| Boiling Point: | 630°Cat760mmHg |
| Flash Point: | 206.9°C |
| Safety: | Deadly poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes. |
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Chemistry
IUPAC Name: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate
Empirical Formula: C27H38O7
Molecular Weight: 474.5864g/mol
Index of Refraction: 1.579
Molar Refractivity: 123.61 cm3
Molar Volume: 371.4 cm3
Polarizability: 49×10-24cm3
Surface Tension: 56.6 dyne/cm
Density: 1.27 g/cm3
Flash Point: 206.9 °C
Enthalpy of Vaporization: 106.8 kJ/mol
Boiling Point: 630 °C at 760 mmHg
Vapour Pressure: 1.63E-18 mmHg at 25°C
Canonical SMILES: CCCC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O
Isomeric SMILES: CCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C27H38O7/c1-3-4-22(29)34-18-5-10-25(16-28)20-6-9-24(2)19(17-13-23(30)33-15-17)8-12-27(24,32)21(20)7-11-26(25,31)14-18/h13,16,18-21,31-32H,3-12,14-15H2,1-2H3/t18-,19+,20?,21?,24+,25-,26-,27-/m0/s1
InChIKey: HZBREJKEAKBQLC-RHEGXVRHSA-N
Structure of n-Butyl-k-strophanthidin (CAS NO.63979-65-7):
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Toxicity Data With Reference
| 1. | ivn-cat LDLo:350 µg/kg | AEPPAE Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 185 (1937),329. | ||
| 2. | ivn-rat LDLo:500 µg/kg | AEPPAE Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 185 (1937),329. |
Safety Profile
Deadly poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
n-Butyl-k-strophanthidin , its cas register number is 63979-65-7. It also can be called (3-beta,5-beta)-5,14-Dihydroxy-19-oxo-3-(1-oxobutoxy)card-20(22)-enolide ; 4-18-00-03131 (Beilstein Handbook Reference) ; 5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-butyrate ; BRN 0066761 ; Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-(1-oxobutoxy)-, (3-beta,5-beta)- ; Strophanthidin-3-n-butyrate ; k-Strophanthidin, n-butyl- . When n-Butyl-k-strophanthidin (CAS NO.63979-65-7) is heated to decomposition, it emits acrid smoke and irritating fumes.