4-[(5,7-Dihydroxy-8-Isobutyryl-2,2-Dimethyl-2H-Chromen-6-Yl)Methyl]-3,5-Dihydroxy-2-Isobutyryl-6,6-Dimethyl-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C26H14O8
IUPAC Name 7-[(2-methylenecyclopropylidene)methylene]-5-[[4,6,8-trioxo-7-(oxomethylene)spiro[2.5]octan-5-ylidene]methylene]benzofuran-3,4,6-trione; prop-1-yne
Molecular Mass 454.385 g·mol−1
Heat of Formation 2419.5 ± 16.7 kJ·mol−1
Dipole Moment 7.97 ± 1.08 D
Volume 506.45 Å 3
Surface Area 404.8 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(5,7-dihydroxy-8-isobutyryl-2,2-dimethyl-chromen-6-yl)methyl]-3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-cyclohexa-2,4-dien-1-one
  • 4-[[5,7-dihydroxy-2,2-dimethyl-8-(2-methyl-1-oxopropyl)-6-chromenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)-1-cyclohexa-2,4-dienone
  • uliginosin b
CAS Number(s)
  • 10-00-4
InChIKey JJUVIYDZIBWTQA-UHFFFAOYSA-N
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