11-Hydroxy-3-[(1S)-1-Hydroxy-3-Methylbutyl]-4-Methoxy-9-Methyl-5H,7H-Dibenzo[B,G][1,5]Dioxocin-5-One

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Properties Simple | Detailed

Formula C21H24O6
IUPAC Name 6-hydroxy-2-[(1s)-1-hydroxy-3-methyl-butyl]-1-methoxy-8-methyl-10h-benzo[b][1,5]benzodioxocin-12-one
Molecular Mass 372.412 g·mol−1
Heat of Formation -906.0 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 439.99 Å 3
Surface Area 366.08 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1'-hydroxy-3'-methylbutyl)-11-hydroxy-4-methoxy-9-methyl-5h,7h-dibenzo(c,f)(1,5)-dioxocin-5-one
  • 5h,7h-dibenzo(b,g)(1,5)dioxocin-5-one, 11-hydroxy-3-(1-hydroxy-3-methylbutyl)-4-methoxy-9-methyl-, (s)-
  • vermixocin a
CAS Number(s)
  • 55303-92-9
InChIKey UOWGLBYIKHMCIS-HNNXBMFYSA-N
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