24,24-Difluoro-1,25-dihydroxy-26,27-dimethylvitamin D3
[CAS# 106647-71-6]

Identification

• Name: 24,24-Difluoro-1,25-dihydroxy-26,27-dimethylvitamin D3
• Synonyms: (1R,5Z)-5-[(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-Cyclohexane-1,3-Diol; (1R,5Z)-5-[(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-Methylenecyclohexane-1,3-Diol; (1R,5Z)-5-[(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-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₉H₄₆F₂O₃
• Molecular Weight: 480.68
• CAS Registry Number: 106647-71-6 (123836-13-5)
• SMILES: [C@]12([C@@H]([C@@H](CCC(F)(F)C(O)(CC)CC)C)CCC1C(/CCC2)=C/C=C/3C(C(O)C[C@H](O)C3)=C)C
• InChI: 1S/C29H46F2O3/c1-6-28(34,7-2)29(30,31)16-14-19(3)24-12-13-25-21(9-8-15-27(24,25)5)10-11-22-17-23(32)18-26(33)20(22)4/h10-11,19,23-26,32-34H,4,6-9,12-18H2,1-3,5H3/b21-10+,22-11-/t19-,23-,24-,25?,26?,27-/m1/s1
• InChIKey: OUCLWOMRWNRDCS-BRCLTZEPSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 601.518°C at 760 mmHg (Cal.)
• Flash point: 317.587°C (Cal.)