(1S,3E)-3-[(2E)-1-Fluoro-2-{(3R,3As,7As)-3A-Methyl-3-[(2R)-6-Methyl-2-Heptanyl]Octahydro-5H-Inden-5-Ylidene}Ethylidene]-4-Methylenecyclohexanol

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Properties Simple | Detailed

Formula C27H43FO
IUPAC Name (1s,3e)-3-[(2e)-2-[(3r,3as,7as)-3-[(1r)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]-1-fluoro-ethylidene]-4-methylene-cyclohexanol
Molecular Mass 402.628 g·mol−1
Heat of Formation -581.3 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 555.4 Å 3
Surface Area 441.65 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3e)-3-[(2e)-2-[(3r,3as,7as)-3-[(1r)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]-1-fluoro-ethylidene]-4-methylene-cyclohexan-1-ol
  • (1s,3e)-3-[(2e)-2-[(3r,3as,7as)-3-[(1r)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]-1-fluoroethylidene]-4-methylene-1-cyclohexanol
  • (1s,3e)-3-[(2e)-2-[(3r,3as,7as)-3a-methyl-3-[(2r)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]-1-fluoro-ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1s,3e)-3-[(2e)-2-[(3r,3as,7as)-3a-methyl-3-[(2r)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1h-inden-5-ylidene]-1-fluoroethylidene]-4-methylidenecyclohexan-1-ol
  • 6-fluoro-vitamin d3
  • 6-fluorovitamin d3
  • 9,10-secocholesta-5,7,10(19)-trien-3-ol, 6-fluoro-, (3beta,5e,7e)-
CAS Number(s)
  • 91625-75-1
InChIKey UDZMUGUNVYTWDQ-IXWVCVGDSA-N
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