(1S,5S,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 (1s,5s,6r,7s)-2-hydroxy-6-methyl-1,3,7-tris(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 -854.7 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 728.77 Å 3
Surface Area 500.14 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s,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
  • (1s,5s,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
  • (1s,5s,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
InChIKey KGSZHKRKHXOAMG-IIFCFJOHSA-N
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