(-)-Rocaglamide

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Properties Simple | Detailed

Formula C29H31NO7
IUPAC Name (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxamide
Molecular Mass 505.559 g·mol−1
Heat of Formation -912.1 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 586.83 Å 3
Surface Area 466.52 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-3-phenyl-2,3-dihydro-1h-cyclopenta[b][1]benzoxole-2-carboxamide
  • (1r,2r,3s,3ar,8bs)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-n,n-dimethyl-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxamide
  • 1h-cyclopenta[b]benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-n,n-dimethyl-3-phenyl-, [1r-(1.alpha.,2.alpha.,3.beta.,3a.beta.,8b.beta.)]-
  • 1h-cyclopenta[b]benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-6,8-dimethoxy- 3a-(4-methoxyphenyl)-n,n-dimethyl-3-phenyl-,(1r,2r,3s,3ar,8bs)-
  • b603847k064
  • rocaglamide
CAS Number(s)
  • 84573-16-0
InChIKey DAPAQENNNINUPW-IDAMAFBJSA-N
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