Cholest-5-En-3-One

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 384.638 g·mol−1
Heat of Formation -475.7 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 535.64 Å 3
Surface Area 419.84 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 3-keto-5-cholestene
InChIKey GGCLNOIGPMGLDB-GYKMGIIDSA-N
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