[(1S,4S,5S,6R,9S,10R,12R,14R)-4-(Benzoyloxy)-5,6-Dihydroxy-3,11,11,14-Tetramethyl-15-Oxotetracyclo[7.5.1.0~1,5~.0~10,12~]Pentadeca-2,7-Dien-7-Yl]Methyl Benzoate

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Properties Simple | Detailed

Formula C34H36O7
IUPAC Name [(1s,4s,5s,6r,9s,10r,12r,14r)-4-(benzoyloxy)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0 1,5 .0 10,12 ]pentadeca-2,7-dien-7-yl]methyl benzoate
Molecular Mass 556.645 g·mol−1
Heat of Formation -865.6 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 657.0 Å 3
Surface Area 471.05 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-(phenylcarbonyloxymethyl)tetracyclo[7.5.1.0<1,5>.0<10,12>]pentadeca-2,7-dien-4-yl benzoate
  • rd4-2174
InChIKey GIMKEHNOTHXONN-NXBFFCPZSA-N
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