Aconine
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Aconine
structure -
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CAS No:
509-20-6
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Formula:
C25H41NO9
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Chemical Name:
Aconine
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Synonyms:
Aconitane-3,8,13,14,15-pentol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,(1α,3α,6α,14α,15α,16β)-;Aconine;11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14,15-pentol deriv.;(1α,3α,6α,14α,15α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol;Jesaconine;11000-31-0;78715-27-2
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CAS No:
Description
Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.
Characteristics
141.31000
-1.63
1.4±0.1 g/cm3
132 °C
626.1±55.0 °C at 760 mmHg
332.4±31.5 °C
1.624
Intravenous-guinea pig LD50: 275 mg/kg; Intravenous-mouse LD50: 117 mg/kg
Flammable; decomposes by heating to release toxic nitrogen oxide fumes
D +23°
Computed Properties
Molecular Weight:499.6
XLogP3:-2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:499.27813189
Monoisotopic Mass:499.27813189
Topological Polar Surface Area:141
Heavy Atom Count:35
Complexity:878
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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