25-Hydroxycholesterol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-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 -712.0 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 556.71 Å 3
Surface Area 436.21 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-cholest-5-ene-3,25-diol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-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,13r,14s,17r)-17-[(1r)-5-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,13r,14s,17r)-17-[(2r)-6-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,13r,14s,17r)-17-[(2r)-6-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
  • 25-hydroxy-cholesterol
  • 25-hydroxycholest-5-en-3-ol
  • 5-cholestene-3beta,25-diol
  • cholest-5-en-3beta,25-diol
  • cholest-5-ene-3beta,25-diol
  • hc3
  • lmst01010018
CAS Number(s)
  • 2140-46-7
InChIKey INBGSXNNRGWLJU-ZHHJOTBYSA-N
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