(15β,16E)-16-Ethylidene-19,20-Didehydro-18-Oxayohimban-21-One

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Properties Simple | Detailed

Formula C20H20N2O2
IUPAC Name (15beta,16e)-16-ethylidene-19,20-didehydro-18-oxayohimban-21-one
Molecular Mass 320.385 g·mol−1
Heat of Formation -79.9 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 379.39 Å 3
Surface Area 314.12 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • oxayohimban-21-one, 19,20-didehydro-16-ethylidene-, (15beta,16e)-
CAS Number(s)
  • 102358-19-0
InChIKey TZNARHUZRAGMMF-AKDXWBRRSA-N
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