(3As,4S,7As)-4-(2-Methoxyphenyl)-2-((2S)-2-(2-Methoxyphenyl)Propanoyl)-7,7-Diphenyloctahydro-1H-Isoindol-4-Ol

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Properties Simple | Detailed

Formula C37H39NO4
IUPAC Name (2s)-1-[(3as,4s,7as)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
Molecular Mass 561.710 g·mol−1
Heat of Formation -402.1 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 684.18 Å 3
Surface Area 485.08 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(3as,4s,7as)-4-hydroxy-4-(2-methoxyphenyl)-7,7-di(phenyl)-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
  • 1h-isoindol-4-ol, octahydro-4-(2-methoxyphenyl)-2-(2-(2-methoxyphenyl)-1-oxopropyl)-7,7-diphenyl-, (3as-(2(r*),3aalpha,4beta,7aalpha))-
  • rpr 103253
CAS Number(s)
  • 153438-49-4
InChIKey CCIWVEMVBWEMCY-RCFOMQFPSA-N
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