7α-Hydroxycholesterol

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Formula C27H46O2
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -703.2 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 553.38 Å 3
Surface Area 429.0 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,7s,8s,9s,10r,13r,14s,17r)-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]phenanthrene-3,7-diol
  • (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,7-diol
  • 7-alpha-hydroxycholesterol
  • 7alpha-cholesterol
  • 7alpha-hydroxy-cholesterol
  • cholest-5-en-3beta,7alpha-diol
  • cholest-5-ene-3,7-diol, (3beta,7alpha)-
  • lmst01010013
CAS Number(s)
  • 566-26-7
InChIKey OYXZMSRRJOYLLO-RVOWOUOISA-N
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