(3β,5Alpha)-25,26,26,26,27,27,27-Heptafluoro-3-Hydroxycholest-8(14)-En-15-One

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Formula C27H37F7O2
IUPAC Name (3s,5s,9r,10s,13r,17r)-3-hydroxy-10,13-dimethyl-17-[(1r)-5,6,6,6-tetrafluoro-1-methyl-5-(trifluoromethyl)hexyl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Molecular Mass 526.570 g·mol−1
Heat of Formation -2120.9 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 598.48 Å 3
Surface Area 467.56 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-10,13-dimethyl-17-[(1r)-5,6,6,6-tetrafluoro-1-methyl-5-(trifluoromethyl)hexyl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • (3s,5s,9r,10s,13r,17r)-3-hydroxy-10,13-dimethyl-17-[(2r)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
  • 25,26,26,26,27,27,27-heptafluoro-3-hydroxycholest-8(14)-en-15-one (3beta,5alpha)-
  • 3-hhceo
  • 3-hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one
  • 3beta-hydroxy-25,26,26,26,26,27,27-heptafluoro-5alpha-cholest-8(14)-en-15-one
CAS Number(s)
  • 153463-20-8
InChIKey CBABDIQZPIMJTP-HSZKHUOXSA-N
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