3-Epi-Macronine

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Properties Simple | Detailed

Formula C18H19NO5
IUPAC Name 3-epi-macronine
Molecular Mass 329.347 g·mol−1
Heat of Formation -529.5 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 370.27 Å 3
Surface Area 315.64 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-3-epimacronine
  • 3-epimacronine
  • 8h-[1,3]dioxolo[6,7][2]benzopyrano[3,4-c]indol-8-one, 3,4,4a,5,6,6a-hexahydro-3-methoxy-5-methyl-, (3s,4as,6ar,13bs)-
InChIKey YEISBJOTHHFANE-NJVUAGGXSA-N
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