1-25-Dihydroxy-23,23-Difluorovitamin D3
[CAS# 98040-59-6]

Identification

• Name: 1-25-Dihydroxy-23,23-Difluorovitamin D3
• Synonyms: (5Z)-5-[(2Z)-2-[1-(3,3-Difluoro-5-Hydroxy-1,5-Dimethyl-Hexyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (5Z)-5-[(2Z)-2-[1-(3,3-Difluoro-5-Hydroxy-1,5-Dimethylhexyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H
• Molecular Formula: C₂₇H₄₂F₂O₃
• Molecular Weight: 452.62
• CAS Registry Number: 98040-59-6
• SMILES: C(C(C3C1(C(C(/CCC1)=C\C=C\2C(C(O)CC(O)C2)=C)CC3)C)C)C(F)(F)CC(O)(C)C
• InChI: 1S/C27H42F2O3/c1-17(15-27(28,29)16-25(3,4)32)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(30)14-24(31)18(20)2/h8-9,17,21-24,30-32H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9-
• InChIKey: RULUGCIDKTYTMP-ZVUGKNKDSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 583.882°C at 760 mmHg (Cal.)
• Flash point: 306.921°C (Cal.)