22β-Hydroxycholesterol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-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 402.653 g·mol−1
Heat of Formation -703.9 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 553.72 Å 3
Surface Area 433.53 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,22r)-cholest-5-ene-3,22-diol
  • (3s,8s,9s,10r,13s,14s,17r)-17-[(1s,2r)-2-hydroxy-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,17r)-17-[(1s,2r)-2-hydroxy-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,17r)-17-[(2s,3r)-3-hydroxy-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,17r)-17-[(2s,3r)-3-hydroxy-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
  • 22(r)-hydroxycholesterol
  • 22alpha-hydroxycholesterol
  • 22r-hydroxycholesterol
  • 5-cholestene-3beta,22(r)-diol
  • 5-cholestene-3beta,22[r]-diol
  • cholest-5-en-3beta,22r-diol
  • cholest-5-ene-3,22-diol, (3beta,22r)-
  • lmst01010086
CAS Number(s)
  • 17954-98-2
InChIKey RZPAXNJLEKLXNO-GFKLAVDKSA-N
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