3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,7,8-triol
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3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,7,8-triol
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CAS No:
81037-22-1
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Formula:
C22H33NO6
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Chemical Name:
3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,7,8-triol
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Synonyms:
Monticoline
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CAS No:
Computed Properties
Molecular Weight:407.5
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:407.23078777
Monoisotopic Mass:407.23078777
Topological Polar Surface Area:94.9
Heavy Atom Count:29
Complexity:780
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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