6-Fluorovitamin D3
[CAS# 91625-75-1]

Identification

• Name: 6-Fluorovitamin D3
• Synonyms: (1S,3E)-3-[(2E)-2-[(3R,3As,7As)-3-[(1R)-1,5-Dimethylhexyl]-3A-Methyl-2,3,4,6,7,7A-Hexahydro-1H-Inden-5-Ylidene]-1-Fluoro-Ethylidene]-4-Methylene-Cyclohexan-1-Ol; (1S,3E)-3-[(2E)-2-[(3R,3As,7As)-3-[(1R)-1,5-Dimethylhexyl]-3A-Methyl-2,3,4,6,7,7A-Hexahydro-1H
• Molecular Formula: C₂₇H₄₃FO
• Molecular Weight: 402.63
• CAS Registry Number: 91625-75-1
• SMILES: [C@]12([C@H](CC[C@H]1CCC(/C2)=C\C(F)=C\3C(CC[C@H](O)C3)=C)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H43FO/c1-18(2)7-6-8-20(4)25-14-12-22-11-10-21(17-27(22,25)5)15-26(28)24-16-23(29)13-9-19(24)3/h15,18,20,22-23,25,29H,3,6-14,16-17H2,1-2,4-5H3/b21-15+,26-24+/t20-,22-,23+,25-,27+/m1/s1
• InChIKey: UDZMUGUNVYTWDQ-IXWVCVGDSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 500.839°C at 760 mmHg (Cal.)
• Flash point: 310.292°C (Cal.)