Cholesterol-20-Hydroperoxide

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Properties Simple | Detailed

Formula C27H46O3
IUPAC Name (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-hydroperoxy-1,5-dimethyl-hexyl]-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 -614.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 557.46 Å 3
Surface Area 433.73 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-hydroperoxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-hydroperoxy-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17s)-17-[(2s)-2-hydroperoxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13s,14s,17s)-17-[(2s)-2-hydroperoxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 20-hydroperoxycholesterol
  • cholest-5-en-3-ol, 20-hydroperoxy-, (3beta)-
CAS Number(s)
  • 23653-01-2
  • 26212-82-8
InChIKey HYNNOUOGQPRXDQ-APGJSSKUSA-N
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