Lupenone

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Formula C30H48O
IUPAC Name (1r,3ar,5ar,5br,7ar,11ar,11br,13ar,13br)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1h-cyclopenta[a]chrysen-9-one
Molecular Mass 424.702 g·mol−1
Heat of Formation -458.9 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 569.32 Å 3
Surface Area 411.54 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3ar,4s,5ar,5br,7ar,11ar,11br,13ar,13br)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one
  • lup-20(29)-en-3-one (8ci)(9ci)
CAS Number(s)
  • 1617-70-5
InChIKey GRBHNQFQFHLCHO-BHMAJAPKSA-N
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