(14β,17Alpha)-Cholest-4-En-3-One

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (8s,9s,10r,13r,14r,17s)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 384.638 g·mol−1
Heat of Formation -489.5 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 540.35 Å 3
Surface Area 426.82 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14r,17s)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13r,14r,17s)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKey NYOXRYYXRWJDKP-HQFKVYTFSA-N
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