(8A'R)-5',6'-Dimethoxy-1'-Methyl-2',3',8',8A'-Tetrahydro-1'H,4H-Spiro[Cyclohexa-2,5-Diene-1,7'-Cyclopenta[Ij]Isoquinolin]-4-One

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Properties Simple | Detailed

Formula C19H21NO3
IUPAC Name (8a'r)-5',6'-dimethoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Molecular Mass 311.375 g·mol−1
Heat of Formation -195.7 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 374.72 Å 3
Surface Area 312.78 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-pronuciferine
  • milthanthine
  • n,o-dimethylcrotonosine
  • n-methylstepharine
  • pronuciferin
  • pronuciferine
  • pronuciferine (7ci,8ci)
  • spiro(2,5-cyclohexadiene-1,7'-1'h-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (r)-
CAS Number(s)
  • 2128-60-1
InChIKey WUYQEGNOQLRQAQ-CQSZACIVSA-N
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