Macelignan

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Properties Simple | Detailed

Formula C20H24O4
IUPAC Name 4-[(2s,3r)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol
Molecular Mass 328.402 g·mol−1
Heat of Formation -548.8 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 409.53 Å 3
Surface Area 350.41 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-anwulignan
  • 4-[(2s,3r)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol
  • 4-[(2s,3r)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
InChIKey QDDILOVMGWUNGD-UONOGXRCSA-N
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