24,24-Difluoro-25-Hydroxyvitamin D3
[CAS# 71603-41-3]

Identification

• Name: 24,24-Difluoro-25-Hydroxyvitamin D3
• Synonyms: (1R,3Z)-3-[(2E)-2-[(3As,7Ar)-1-[(1R)-4,4-Difluoro-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexan-1-Ol; (1R,3Z)-3-[(2E)-2-[(3As,7Ar)-1-[(1R)-4,4-Difluoro-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-1-Cyclohexanol; (1R,3Z)-3-[(2E)-2-[(3As,7Ar)-1-[(2R)-5,5-Difluoro-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexan-1-Ol
• Molecular Formula: C₂₇H₄₂F₂O₂
• Molecular Weight: 436.62
• CAS Registry Number: 71603-41-3
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CCC3[C@@H](CCC(F)(F)C(O)(C)C)C)C
• InChI: 1S/C27H42F2O2/c1-18-8-11-22(30)17-21(18)10-9-20-7-6-15-26(5)23(12-13-24(20)26)19(2)14-16-27(28,29)25(3,4)31/h9-10,19,22-24,30-31H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23?,24+,26-/m1/s1
• InChIKey: LRNVEDCUBISUTC-OWRPZGOZSA-N

Properties

• Density: 1.08g/cm³ (Cal.)
• Boiling point: 545.066°C at 760 mmHg (Cal.)
• Flash point: 283.446°C (Cal.)