(1α,14α,16Beta)-20-Ethyl-4-(Hydroxymethyl)-8,16-Dimethoxyaconitane-1,14-Diol

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Properties Simple | Detailed

Formula C23H37NO5
IUPAC Name (1alpha,14alpha,16beta)-20-ethyl-4-(hydroxymethyl)-8,16-dimethoxyaconitane-1,14-diol
Molecular Mass 407.544 g·mol−1
Heat of Formation -966.6 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 490.35 Å 3
Surface Area 364.96 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1alpha,5xi,9xi,10xi,13xi,14alpha,16beta,17xi)-20-ethyl-4-(hydroxymethyl)-8,16-dimethoxyaconitane-1,14-diol
  • 8-o-methylcolumbianine
  • aconitane-1,14-diol, 20-ethyl-4-(hydroxymethyl)-8,16-dimethoxy-, (1alpha,5xi,9xi,10xi,13xi,14alpha,16beta,17xi)-
  • raveyine
InChIKey HOCJNIVJUMYCKR-VHNKBEDGSA-N
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