1-(17-Methoxyaspidospermidin-1-yl)ethanone
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1-(17-Methoxyaspidospermidin-1-yl)ethanone
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CAS No:
466-49-9
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Formula:
C22H30N2O2
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Chemical Name:
1-(17-Methoxyaspidospermidin-1-yl)ethanone
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Synonyms:
Ethanone,1-(17-methoxyaspidospermidin-1-yl)-;Aspidospermidine,1-acetyl-17-methoxy-;Aspidospermine;1-(17-Methoxyaspidospermidin-1-yl)ethanone;Aspidospermin;(-)-Aspidospermine;NSC 19508;NSC 61811;1405-11-4;28645-74-1
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CAS No:
Description
White to brownish-yellow crystalline alkaloid. Soluble in fats, fixed oils, absolute alcohol, and ether. Its sulfate and hydrochloride are soluble in water.
Solid
Aspidospermine is an indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. It derives from a hydride of an aspidospermidine.
1-(17-Methoxyaspidospermidin-1-yl)ethanone Basic Attributes
354.49
354.49
207-376-7
U1475W62Q5
61811|19508
DTXSID70196883
Characteristics
32.8
3.72930
Solid
1.2 g/cm3
208 °C
220 °C
282.1ºC
1.613
166.6mg/L(cold water)
Peritoneal-mouse LD50: 40 mg/kg
Flammable; burning produces toxic nitrogen oxide fumes
D15 -100.2° (alc); D -93° (chloroform)
Safety Information
Ventilated, low temperature and dry; stored separately from food materials in warehouse
Computed Properties
Molecular Weight:354.5
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:354.230728204
Monoisotopic Mass:354.230728204
Topological Polar Surface Area:32.8
Heavy Atom Count:26
Complexity:595
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-(17-Methoxyaspidospermidin-1-yl)ethanone
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