Cholest-4-Ene-3,6-Dione

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Properties Simple | Detailed

Formula C27H42O2
IUPAC Name (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,6-dione
Molecular Mass 398.621 g·mol−1
Heat of Formation -585.7 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 541.57 Å 3
Surface Area 423.5 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,6-dione
  • (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,6-dione
  • (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3,6-quinone
  • cholest-4-en-3,6-dione
CAS Number(s)
  • 984-84-9
InChIKey GWOSBUGZGFVDDS-LKGWFGLDSA-N
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