(3β,6β)-6-(2-Fluoroethyl)-19-Norcholest-5(10)-En-3-Ol

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Properties Simple | Detailed

Formula C28H47FO
IUPAC Name (3s,6s,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(2-fluoroethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 418.671 g·mol−1
Heat of Formation -737.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 577.48 Å 3
Surface Area 456.68 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,8s,9s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-6-(2-fluoroethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
  • (3s,6s,8s,9s,13r,14s,17r)-6-(2-fluoroethyl)-13-methyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
InChIKey ZOZGTABWUGJDJB-CVJVVXCOSA-N
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