Aconifine
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Aconifine
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CAS No:
41849-35-8
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Formula:
C34H47NO12
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Chemical Name:
Aconifine
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Synonyms:
Aconitane-3,8,10,13,14,15-hexol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,8-acetate 14-benzoate,(1α,3α,6α,14α,15α,16β)-;Aconifine;Nagarine (C34 alkaloid);10-Hydroxyaconitine;Nagarine;8β-Acetoxy-14α-benzoyloxy-N-ethyl-3α,10β,13β,15α-tetrahydroxy-1α,6α,16β-trimethoxy-4β-(methoxymethylene)aconitane
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CAS No:
Description
Aconifine is a diterpenoid that is aconitine bearing a 10-hydroxy substituent. It derives from an aconitine. It derives from a hydride of an aconitane.
Computed Properties
Molecular Weight:661.7
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:11
Exact Mass:661.30982593
Monoisotopic Mass:661.30982593
Topological Polar Surface Area:174
Heavy Atom Count:47
Complexity:1260
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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