(4Ar,6Ar,8Ar,12As,12Bs,14Ar,14Br)-4,4,6A,8A,11,11,12B,14B-Octamethyl-1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-Octadecahydro-3(2H)-Picenone

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Properties Simple | Detailed

Formula C30H48O
IUPAC Name (4ar,6ar,6as,8ar,12as,14ar,14br)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1h-picen-3-one
Molecular Mass 424.702 g·mol−1
Heat of Formation -475.0 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 572.55 Å 3
Surface Area 411.51 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,6ar,6as,8ar,12as,14ar,14br)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1h-picen-3-one
  • taraxerone
CAS Number(s)
  • 514-07-8
InChIKey DBCAVZSSFGIHQZ-KGSLAXPJSA-N
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