25-Fluorocholest-5-En-3β-Ol

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Properties Simple | Detailed

Formula C27H45FO
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-fluoro-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 404.644 g·mol−1
Heat of Formation -736.9 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 549.11 Å 3
Surface Area 430.85 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-5-fluoro-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-fluoro-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-fluoro-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-fluoro-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-fluorocholesterol
  • cholest-5-en-3-ol, 25-fluoro-, (3beta)-
CAS Number(s)
  • 64164-45-0
InChIKey KODUXLQPNXWWMQ-ZHHJOTBYSA-N
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