3,5-Dihydroxy-2-Isobutyryl-6,6-Dimethyl-4-[2,4,6-Trihydroxy-3-Methyl-5-(2-Methylbutanoyl)Benzyl]-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C25H32O8
IUPAC Name 3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-[(2r)-2-methylbutanoyl]phenyl]methyl]cyclohexa-2,4-dien-1-one
Molecular Mass 460.517 g·mol−1
Heat of Formation -1541.1 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 546.94 Å 3
Surface Area 400.6 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey XEWUKGNAGYTTTK-LLVKDONJSA-N
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Elements H C O