Pseudaconitine
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Pseudaconitine
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CAS No:
127-29-7
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Formula:
C36H51NO12
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Chemical Name:
Pseudaconitine
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Synonyms:
Aconitane-3,8,13,14-tetrol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-(3,4-dimethoxybenzoate),(1α,3α,6α,14α,16β)-;Pseudoaconitine;2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-3,8,13,14-tetrol deriv.;English aconitine;Nepaul aconitine;Pseudaconitine;Feraconitine;Nepaline;Acraconitine;Nepal aconitine;1369-10-4
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CAS No:
Computed Properties
Molecular Weight:689.8
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:689.34112606
Monoisotopic Mass:689.34112606
Topological Polar Surface Area:152
Heavy Atom Count:49
Complexity:1290
Defined Atom Stereocenter Count:13
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes