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36573-63-4

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Basic Information
CAS No.: 36573-63-4
Name: [2alpha(2S,3S,4S,6R),3beta,5alpha]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide
Molecular Structure:
Molecular Structure of 36573-63-4 ([2alpha(2S,3S,4S,6R),3beta,5alpha]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide)
Formula: C31H42 O10
Molecular Weight: 574.73
Synonyms: Asclepiadin;Asclepin; Card-20(22)-enolide,2,3-[[4-(acetyloxy)tetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxo-,[2a(2S,3S,4S,6R),3b,5a]-
Density: 1.37g/cm3
Melting Point: 308.5°C
Boiling Point: 723°Cat760mmHg
Flash Point: 232.2°C
Safety: Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 137.82000
LogP: 2.57150
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Chemistry

IUPAC Name: 3'-O-Acetylcalotropin
Synonyms of 3'-O-Acetylcalotropin (CAS NO.36573-63-4) : [2alpha(2S,3S,4S,6R),3beta,5alpha]-2,3-[[4-Acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide ; 3'-O-Acetylcalotropin ; Asclepiadin ; Asclepin ; Calotropin, 3'-O-acetyl-
CAS NO: 36573-63-4
Molecular Formula:C31H42O10
Molecular Weight :574.65918
Molecular Structure :
EINECS: 253-110-8
Index of Refraction:1.599
Surface Tension: 61 dyne/cm
Density: 1.37 g/cm3
Flash Point: 232.2 °C
Enthalpy of Vaporization: 120.61 kJ/mol
Boiling Point: 723 °C at 760 mmHg
Vapour Pressure: 3.88E-24 mmHg at 25°C

Uses

  3'-O-Acetylcalotropin (CAS NO.36573-63-4) is used as intermediate in organic synthesis .

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 5mg/kg (5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1095, 1978.
mouse LDLo intraperitoneal 15mg/kg (15mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1095, 1978.
pigeon LDLo intravenous 400ug/kg (0.4mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1095, 1978.

 

Safety Profile

Poison by intravenous, subcutaneous, and intraperitoneal routes. When 3'-O-Acetylcalotropin (CAS NO.36573-63-4) is heated to decomposition, it emits acrid smoke and irritating fumes.