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Home > Encyclopedia > 3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol

3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol

3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol structure

3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol 

structure
  • CAS No:

    81047-05-4

  • Formula:

    C22H33NO5

  • Chemical Name:

    3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol

  • Synonyms:

    Monticamine;ZINC107336548

3β,4-Epoxy-20-ethyl-14α,16β-dimethoxyaconitane-1α,8-diol Basic Attributes

391.50112

391.236

Characteristics

74.7

0.2

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

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