(1R,3Z,5S)-3-[(2E)-2-{(3As,7As)-1-[(2S,4E)-6-Ethyl-6-Hydroxy-4-Octen-2-Yl]-7A-Methyl-3,3A,5,6,7,7A-Hexahydro-4H-Inden-4-Ylidene}Ethylidene]-5-Fluoro-4-Methylenecyclohexanol

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Properties Simple | Detailed

Formula C29H43FO2
IUPAC Name (1r,3z,5s)-3-[(2e)-2-[(3as,7as)-1-[(e,1s)-5-ethyl-5-hydroxy-1-methyl-hept-3-enyl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-cyclohexanol
Molecular Mass 442.649 g·mol−1
Heat of Formation -65.6 ± 16.7 kJ·mol−1
Dipole Moment 5.64 ± 1.08 D
Volume 595.91 Å 3
Surface Area 460.31 Å 2
Point Group Symmetry C1
Synonyms
  • (1r,3z,5s)-3-[(2e)-2-[(3as,7as)-1-[(e,1s)-5-ethyl-5-hydroxy-1-methyl-hept-3-enyl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-cyclohexan-1-ol
  • (1r,3z,5s)-3-[(2e)-2-[(3as,7as)-1-[(e,1s)-5-ethyl-5-hydroxy-1-methylhept-3-enyl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-1-cyclohexanol
  • (1r,3z,5s)-3-[(2e)-2-[(3as,7as)-1-[(e,2s)-6-ethyl-6-hydroxy-oct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidene-cyclohexan-1-ol
  • (1r,3z,5s)-3-[(2e)-2-[(3as,7as)-1-[(e,2s)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
  • bxl-628
  • elocalcitol
  • ro-26-9228
InChIKey LRLWXBHFPGSUOX-GJQYOBCGSA-N
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