Benzoylaconine
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Benzoylaconine
structure -
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CAS No:
466-24-0
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Formula:
C32H45NO10
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Chemical Name:
Benzoylaconine
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Synonyms:
Aconitane-3,8,13,14,15-pentol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,14-benzoate,(1α,3α,6α,14α,15α,16β)-;Picraconitine;11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14,15-pentol deriv.;Benzoylaconine;Benzaconine;Isaconitine;Pikraconitin;14-Benzoylaconine;14-O-Benzoylaconine;Aconine 14-benzoate
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CAS No:
Description
Benzoylaconine(Isaconitine; Pikraconitin) is an alkaloid in the Chinese traditional medicine Radix Aconiti Lateralis Preparata (Fuzi).
Characteristics
147.38000
0.90
1.4±0.1 g/cm3
130°C
711.4±60.0 °C at 760 mmHg
384.0±32.9 °C
1.631
0mmHg at 25°C
Computed Properties
Molecular Weight:603.7
XLogP3:-0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:603.30434663
Monoisotopic Mass:603.30434663
Topological Polar Surface Area:147
Heavy Atom Count:43
Complexity:1100
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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