3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol
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3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol
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CAS No:
81047-05-4
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Formula:
C22H33NO5
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Chemical Name:
3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol
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Synonyms:
Monticamine;ZINC107336548
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CAS No:
Computed Properties
Molecular Weight:391.5
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:391.23587315
Monoisotopic Mass:391.23587315
Topological Polar Surface Area:74.7
Heavy Atom Count:28
Complexity:734
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol
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