Molecular Structure of Allo-glaucotoxigenin (CAS NO.14155-65-8):
IUPAC: (3beta,5alpha,8xi,9xi,15beta)-3,14,15-Trihydroxy-19-oxocard-20(22)-enolide
Molecular Formula: C23H32O6
Molecular Weight: 404.4966
Density: 1.406 g/cm3
Boiling point: 606oC at 760 mmHg
Flash point: 209.2oC
Index of Refraction: 1.659
Surface Tension: 76.2 dyne/cm
Enthalpy of Vaporization: 103.34 kJ/mol
Vapour Pressure: 3.22E-17 mmHg at 25oC
SMILES: O=C/1OCC(=C\1)\[C@@H]2[C@@]4([C@](O)([C@H](O)C2)C5CC[C@H]3C[C@@H](O)CC[C@]3(C=O)C5CC4)C
InChI: InChI=1/C23H32O6/c1-21-6-5-16-17(3-2-14-9-15(25)4-7-22(14,16)12-24)23(21,28)19(26)10-18(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15-,16?,17?,18+,19+,21+,22+,23+/m0/s1
InChIKey: QJKATDKDXQSALV-UFJODQJQBZ
1. | ivn-cat LDLo:3570 µg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),1029. |
A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Allo-glaucotoxigenin with cas registry number of 14155-65-8 is also known as (3-beta,5-alpha,15-beta)-19-Oxo-3,14,15-trihydroxycard-20(22)-enolide ; Alloglaucotoxigenin ; Alloglucotoxigenin ; 5-alpha-Card-20(22)-enolide, 3-beta,14,15-beta-trihydroxy-19-oxo- (8CI) ; Card-20(22)-enolide, 19-oxo-3,14,15-trihydroxy-, (3-beta,5-alpha,15-beta)- . Allo-glaucotoxigenin with cas registry number of 14155-65-8 is a natural product which is used as a intermediate.
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