Benzoylmesaconine
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Benzoylmesaconine
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CAS No:
63238-67-5
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Formula:
C31H43NO10
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Chemical Name:
Benzoylmesaconine
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Synonyms:
Aconitane-3,8,13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-,14-benzoate,(1α,3α,6α,14α,15α,16β)-;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14,15-pentol deriv.;Benzoylmesaconine;Mesaconine 14-benzoate;14-O-Benzoylmesaconine;8-Deacetylmesaconitine;O8-Deacetylmesaconitine
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CAS No:
Description
Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.
Computed Properties
Molecular Weight:589.7
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:589.28869657
Monoisotopic Mass:589.28869657
Topological Polar Surface Area:147
Heavy Atom Count:42
Complexity:1090
Undefined Atom Stereocenter Count:15
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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