27-Hydroxycholesterol

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Properties Simple | Detailed

Formula C27H46O2
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,5r)-6-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 -679.9 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 552.17 Å 3
Surface Area 439.17 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r,5r)-6-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,5r)-6-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,6r)-7-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,6r)-7-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
  • 27-hydroxy-cholesterol(25r)
  • cholest-(25r)-5-en-3beta,26-diol
  • cholest-5-ene-3,26,diol, (3beta,25r)-
  • cholest-5-ene-3beta,26-diol, (25r)-
  • cholest-5-ene-3beta,27-diol
  • lmst01010088
CAS Number(s)
  • 20380-11-4
InChIKey FYHRJWMENCALJY-YSQMORBQSA-N
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