(1R,5R,7S,8R)-4-Hydroxy-1-Isobutyryl-8-Methyl-3,5,7-Tris(3-Methyl-2-Buten-1-Yl)-8-(4-Methyl-3-Penten-1-Yl)Bicyclo[3.3.1]Non-3-Ene-2,9-Dione

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Properties Simple | Detailed

Formula C35H52O4
IUPAC Name (1r,5r,6r,7s)-2-hydroxy-6-methyl-7-[(z)-3-methylbut-2-enyl]-1,3-bis(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-2-ene-4,9-dione
Molecular Mass 536.785 g·mol−1
Heat of Formation 2611.3 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 688.52 Å 3
Surface Area 484.37 Å 2
Point Group Symmetry C1
Synonyms
  • (1r,5r,7s,8r)-4-hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-quinone
  • (1r,5r,7s,8r)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-1-(2-methyl-1-oxopropyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (1r,5r,7s,8r)-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • hyperforin
  • pdsp2_001346
CAS Number(s)
  • 11079-53-1
InChIKey KGSZHKRKHXOAMG-HQKKAZOISA-N
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