(3R,5Z,7E,22E)-24-Fluoro-9,10-Secoergosta-5,7,10,22-Tetraene-1,3,25-Triol
[CAS# 135776-86-2]

Identification

• Name: (3R,5Z,7E,22E)-24-Fluoro-9,10-Secoergosta-5,7,10,22-Tetraene-1,3,25-Triol
• Synonyms: 24-fluoro-1,25-dihydroxyvitamin D2
• Molecular Formula: C₂₈H₄₃FO₃
• Molecular Weight: 446.64
• CAS Registry Number: 135776-86-2
• SMILES: CC(C)(O)[C@](C)(F)/C=C/[C@@H](C)[C@H]2CC[C@H]1C(\CCC[C@@]12C)=C\C=C3\C[C@@H](O)CC(O)C3=C
• InChI: 1S/C28H43FO3/c1-18(13-15-28(6,29)26(3,4)32)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(30)17-25(31)19(21)2/h9-10,13,15,18,22-25,30-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25?,27-,28-/m1/s1
• InChIKey: NYQPKLHIAIIMRX-PHBKVGHBSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 590.937°C at 760 mmHg (Cal.)
• Flash point: 311.187°C (Cal.)
• Refractive index: 1.547 (Cal.)