(3β,5β)-5-Hydroperoxycholest-6-En-3-Ol

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Formula C27H46O3
IUPAC Name (3s,5r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-5-hydroperoxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 418.652 g·mol−1
Heat of Formation -610.8 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 558.73 Å 3
Surface Area 427.25 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-5-hydroperoxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,5r,8s,9s,10r,13r,14s,17r)-5-hydroperoxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
  • 3-hydroxy-5-cholest-6-ene-5-hydroperoxide
  • 3beta-hydroxy-5alpha-hydroperoxy-delta-6-cholestene
  • 5-hydroperoxycholesterol
  • cholesterol hydroperoxide
CAS Number(s)
  • 55529-60-7
InChIKey CUIXDAUTEMBARD-JLLCDCETSA-N
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