26,26,26,27,27,27-Hexafluoro-1,23,25-Trihydroxyvitamin D3
[CAS# 114489-80-4]

Identification

• Name: 26,26,26,27,27,27-Hexafluoro-1,23,25-Trihydroxyvitamin D3
• Synonyms: (1R,5Z)-5-[(2E)-2-[(1R,7Ar)-7A-Methyl-1-[(1R)-6,6,6-Trifluoro-3,5-Dihydroxy-1-Methyl-5-(Trifluoromethyl)Hexyl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,5Z)-5-[(2E)-2-[(1R,7Ar)-7A-Methyl-1-[(1R)-6,6,6-Trifluoro-3,5-Dihydroxy-1-Methyl-5-(Trifluoromethyl)Hexyl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,5Z)-5-[(2E)-2-[(1R,7Ar)-7A-Methyl-1-[(2R)-7,7,7-Trifluoro-4,6-Dihydroxy-6-(Trifluoromethyl)Heptan-2-Yl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₃₈F₆O₄
• Molecular Weight: 540.59
• CAS Registry Number: 114489-80-4
• SMILES: [C@]12([C@@H]([C@@H](CC(O)CC(O)(C(F)(F)F)C(F)(F)F)C)CCC1C(/CCC2)=C/C=C/3C(C(O)C[C@H](O)C3)=C)C
• InChI: 1S/C27H38F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19-23,34-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20?,21-,22?,23?,24-/m1/s1
• InChIKey: SVMOCCGIPIDIDM-IWZDEJHGSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 603.115°C at 760 mmHg (Cal.)
• Flash point: 318.553°C (Cal.)