Yunaconitine
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Yunaconitine
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CAS No:
70578-24-4
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Formula:
C35H49NO11
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Chemical Name:
Yunaconitine
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Synonyms:
Aconitane-3,8,13,14-tetrol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-(4-methoxybenzoate),(1α,3α,6α,14α,16β)-;Vilmorrianine B;Isoaconitine;11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14-tetrol deriv.;Yunaconitine;Guayewuanine B;3α,13-Dihydroxyforesaconitine;Yunnaconitine;97856-17-2;1357-88-6
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CAS No:
Characteristics
142.45000
0.61
1.3±0.1 g/cm3
142-144 °C
722.8±60.0 °C at 760 mmHg
390.9±32.9 °C
1.599
Yunaconitine Use and Manufacturing
Yunnaconitine is a metabolite of Aconitine (A189875), a neurotoxin that binds, activates tetrodotoxin-sensitive Na+ channels and prolongs the opening of the sodium-ion channel by suppressing conformational changes. Yunnaconitine is a deiterpene alkaloid, known to exhibit cytotoxic activity in human leukemic cell.
Computed Properties
Molecular Weight:659.8
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:659.33056138
Monoisotopic Mass:659.33056138
Topological Polar Surface Area:142
Heavy Atom Count:47
Complexity:1230
Undefined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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