24,24-Difluoro-24-Homo-1,25-Dihydroxyvitamin D3
[CAS# 115540-42-6]

Identification

• Name: 24,24-Difluoro-24-Homo-1,25-Dihydroxyvitamin D3
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(3As,7Ar)-1-(5,5-Difluoro-6-Hydroxy-1,6-Dimethyl-Heptyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(3As,7Ar)-1-(5,5-Difluoro-6-Hydroxy-1,6-Dimethylheptyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(3As,7Ar)-1-(6,6-Difluoro-7-Hydroxy-7-Methyl-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: C₂₈H₄₄F₂O₃
• Molecular Weight: 466.65
• CAS Registry Number: 115540-42-6
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C/2C([C@@H](O)C[C@H](O)C2)=C)CCC3C(CCCC(F)(F)C(O)(C)C)C)C
• InChI: 1S/C28H44F2O3/c1-18(8-6-15-28(29,30)26(3,4)33)23-12-13-24-20(9-7-14-27(23,24)5)10-11-21-16-22(31)17-25(32)19(21)2/h10-11,18,22-25,31-33H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18?,22-,23?,24+,25+,27-/m1/s1
• InChIKey: BYSQJLGAMANIHA-DISCJWLBSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 591.329°C at 760 mmHg (Cal.)
• Flash point: 311.425°C (Cal.)