(3β,7Alpha)-7-Hydroperoxycholest-5-En-3-Ol

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Formula C27H46O3
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 418.652 g·mol−1
Heat of Formation -605.5 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 566.27 Å 3
Surface Area 441.28 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-7-hydroperoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-7-hydroperoxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 3-beta-hydroxycholest-5-ene-7-alpha-hydroperoxide
  • 3beta-hydroxycholest-5-ene-7alpha-hydroperoxide
  • cholest-5-en-3-ol, 7-hydroperoxy-, (3-beta,7-alpha)-
  • cholesterol 7-alpha-hydroperoxide
  • cholesterol 7-hydroperoxide
CAS Number(s)
  • 2846-29-9
InChIKey KJIGLXGIVLBXCF-RVOWOUOISA-N
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