(3S,5Z,7E)-3-Fluoro-9,10-Secocholesta-5,7,10-Triene

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Properties Simple | Detailed

Formula C27H43F
IUPAC Name (1r,3as,4e,7ar)-1-[(1r)-1,5-dimethylhexyl]-4-[(2z)-2-[(5s)-5-fluoro-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-indene
Molecular Mass 386.629 g·mol−1
Heat of Formation -392.8 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 545.42 Å 3
Surface Area 431.88 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4e,7ar)-1-[(1r)-1,5-dimethylhexyl]-4-[(2z)-2-[(5s)-5-fluoro-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-indene
  • (1r,3as,4e,7ar)-1-[(1r)-1,5-dimethylhexyl]-4-[(2z)-2-[(5s)-5-fluoro-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-indene
  • (1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-fluoro-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-indene
  • (1r,3as,4e,7ar)-4-[(2z)-2-[(5s)-5-fluoro-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1h-indene
  • 3-fluoro-9,10-secocholestatrien-5,7,10(19)
  • 3alpha-fluoro-9,10-secocholestatrien-5,7,10(19)
  • 9,10-secocholesta-5,7,10(19)-triene, 3-fluoro-, (3alpha)-
CAS Number(s)
  • 53839-02-4
InChIKey MDVGYNPTLLBSNB-YRZJJWOYSA-N
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