(-)-Chimonanthine

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Properties Simple | Detailed

Formula C22H26N4
IUPAC Name (3r,3as,8bs)-8b-[(3r,3as,8bs)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Molecular Mass 346.469 g·mol−1
Heat of Formation 237.2 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 424.78 Å 3
Surface Area 325.0 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C2
Synonyms
  • (3as,3a's,8as,8a's)-1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1h,1'h-3a,3a'-bipyrrolo[2,3-b]indole
  • (3as,8bs)-8b-[(3as,8bs)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
  • 1-demethylcalycanthidine
  • calycanthidine, 1-demethyl-
  • chimonanthin
InChIKey HOYXPMHLHJOGHD-FNAHDJPLSA-N
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Elements H C N