(8β,9Alpha)-6,8-Dimethylergolin-9-Ol

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Formula C16H20N2O
IUPAC Name (6ar,7s,9s,10r,10ar)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-10-ol
Molecular Mass 256.343 g·mol−1
Heat of Formation -59.1 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 314.38 Å 3
Surface Area 270.33 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
Synonyms
  • 6,8-dimethylergolin-9-ol
  • ergolin-9-ol, 6,8-dimethyl-, (8beta,9alpha)-
  • isofumigaclavine b
CAS Number(s)
  • 58800-20-7
InChIKey JUXRVSRUBIFVKE-CZLJMHDISA-N
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