24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3
[CAS# 106647-61-4]

Identification

• Name: 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3
• Synonyms: (1S,3Z)-3-[(2E)-2-[(1R,7Ar)-1-[(1R)-5-Ethyl-4,4-Difluoro-5-Hydroxy-1-Methyl-Heptyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexan-1-Ol; (1S,3Z)-3-[(2E)-2-[(1R,7Ar)-1-[(1R)-5-Ethyl-4,4-Difluoro-5-Hydroxy-1-Methylheptyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-1-Cyclohexanol; (1S,3Z)-3-[(2E)-2-[(1R,7Ar)-1-[(2R)-6-Ethyl-5,5-Difluoro-6-Hydroxy-Octan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₉H₄₆F₂O₂
• Molecular Weight: 464.68
• CAS Registry Number: 106647-61-4
• SMILES: [C@]12([C@@H]([C@@H](CCC(F)(F)C(O)(CC)CC)C)CCC1C(/CCC2)=C/C=C/3C(CC[C@H](O)C3)=C)C
• InChI: 1S/C29H46F2O2/c1-6-28(33,7-2)29(30,31)18-16-21(4)25-14-15-26-22(9-8-17-27(25,26)5)11-12-23-19-24(32)13-10-20(23)3/h11-12,21,24-26,32-33H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26?,27-/m1/s1
• InChIKey: NATOOCTZNLKFIB-FEFNYKTISA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 567.179°C at 760 mmHg (Cal.)
• Flash point: 296.819°C (Cal.)