26,26,26,27,27-Pentafluoro-1-Hydroxy-27-Methoxyvitamin D3
[CAS# 119839-97-3]

Identification

• Name: 26,26,26,27,27-Pentafluoro-1-Hydroxy-27-Methoxyvitamin D3
• Synonyms: (1R,5Z)-5-[(2E)-2-[(7Ar)-1-[(1R)-5-(Difluoro-Methoxy-Methyl)-6,6,6-Trifluoro-1-Methyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,5Z)-5-[(2E)-2-[(7Ar)-1-[(1R)-5-(Difluoro-Methoxymethyl)-6,6,6-Trifluoro-1-Methylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,5Z)-5-[(2E)-2-[(7Ar)-1-[(2R)-6-(Difluoro-Methoxy-Methyl)-7,7,7-Trifluoro-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₁F₅O₃
• Molecular Weight: 520.62
• CAS Registry Number: 119839-97-3
• SMILES: [C@]13(C(C(/CCC1)=C/C=C/2C(C(O)C[C@H](O)C2)=C)CCC3[C@@H](CCCC(C(F)(F)OC)C(F)(F)F)C)C
• InChI: 1S/C28H41F5O3/c1-17(7-5-9-25(27(29,30)31)28(32,33)36-4)22-12-13-23-19(8-6-14-26(22,23)3)10-11-20-15-21(34)16-24(35)18(20)2/h10-11,17,21-25,34-35H,2,5-9,12-16H2,1,3-4H3/b19-10+,20-11-/t17-,21-,22?,23?,24?,25?,26-/m1/s1
• InChIKey: YFPUGVGSQJTGSN-BBAVXGTHSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 539.175°C at 760 mmHg (Cal.)
• Flash point: 230.525°C (Cal.)