14-Deacetylnudicauline
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14-Deacetylnudicauline
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CAS No:
119347-24-9
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Formula:
C36H48N2O10
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Chemical Name:
14-Deacetylnudicauline
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Synonyms:
Aconitane-7,8,14-triol,20-ethyl-1,6,16-trimethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]-,(1α,6β,14α,16β)-;Aconitane-7,8,14-triol,20-ethyl-1,6,16-trimethoxy-4-[[[2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-,[1α,4(S),6β,14α,16β]-;(1α,6β,14α,16β)-20-Ethyl-1,6,16-trimethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoyl]oxy]methyl]aconitane-7,8,14-triol;14-Deacetylnudicauline;14-Deacetylandersoline;O-Deacetylnudicauline;Desacetylnudicauline
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CAS No:
Computed Properties
Molecular Weight:668.8
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:668.33089573
Monoisotopic Mass:668.33089573
Topological Polar Surface Area:155
Heavy Atom Count:48
Complexity:1360
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes