Nat-20(S)-Hydroxycholesterol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-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 -705.7 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 550.52 Å 3
Surface Area 431.87 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (20s)-20-hydroxycholesterol
  • (20s)-cholest-5-ene-3beta,20-diol
  • (3s,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-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,17s)-17-[(1s)-1-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,17s)-17-[(2s)-2-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,17s)-17-[(2s)-2-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
  • 20-hydroxycholesterol
  • 20alpha-hydroxycholesterol
  • 20s-cholest-5-ene-3beta,20-diol
  • 5-cholestene-3beta,20alpha-diol
  • cholest-5-ene-3,20-diol, (3beta)-
  • cholest-5-ene-3beta,20-diol
  • cholest-5-ene-3beta,20-diol, (20s)-
  • cholest-5-ene-3beta,20alpha-diol
CAS Number(s)
  • 516-72-3
  • 17364-43-1
InChIKey MCKLJFJEQRYRQT-APGJSSKUSA-N
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