1-[3-(2,6-Dihydroxy-3-Isobutyryl-4-Methoxy-5-Methylbenzyl)-2,4,6-Trihydroxy-5-(2-Hydroxy-5-Isobutyryl-4,6-Dimethoxy-3-Methylbenzyl)Phenyl]-2-Methyl-1-Propanone

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Properties Simple | Detailed

Formula C37H46O12
IUPAC Name 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]phenyl]-2-methyl-propan-1-one
Molecular Mass 682.754 g·mol−1
Heat of Formation -2147.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 821.24 Å 3
Surface Area 520.61 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methyl-benzyl)-2,4,6-trihydroxy-5-(2-hydroxy-5-isobutyryl-4,6-dimethoxy-3-methyl-benzyl)phenyl]-2-methyl-propan-1-one
  • 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
  • 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
  • 1-propanone, 1-(3-((2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)-2,4,6-trihydroxy-5-((2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)phenyl)-2-methyl-
  • protokosin
CAS Number(s)
  • 10091-70-0
InChIKey KZRUJLHMLWGQQL-UHFFFAOYSA-N
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