| SpectraBase Compound ID | 70UJQZdmIZx |
|---|---|
| InChI | InChI=1S/2C27H42F2O3/c2*1-17(8-6-14-25(3,4)32)20-12-13-22-19(9-7-15-26(20,22)5)10-11-21-18(2)23(30)16-24(31)27(21,28)29/h2*10-11,17,20,22-24,30-32H,2,6-9,12-16H2,1,3-5H3/b2*19-10+,21-11+/t2*17?,20?,22?,23-,24-,26?/m00/s1 |
| InChIKey | QQYSMZFYVHJSFW-CTKFNKICSA-N |
| Mol Weight | 905.3 g/mol |
| Molecular Formula | C54H84F4O6 |
| Exact Mass | 904.620403 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8g1VdEwb3Px |
|---|---|
| Name | 4,4-DIFLUORO-1,25-DIHYDROXY-VITAMIN-D3 |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84F4O6 |
| InChI | InChI=1S/2C27H42F2O3/c2*1-17(8-6-14-25(3,4)32)20-12-13-22-19(9-7-15-26(20,22)5)10-11-21-18(2)23(30)16-24(31)27(21,28)29/h2*10-11,17,20,22-24,30-32H,2,6-9,12-16H2,1,3-5H3/b2*19-10+,21-11+/t2*17?,20?,22?,23-,24-,26?/m00/s1 |
| InChIKey | QQYSMZFYVHJSFW-CTKFNKICSA-N |
| Literature Reference Author | A.OHNO,M.SHIMIZU,S.YAMADA |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,475(2002) |
| Literature Reference DOI | 10.1248/cpb.50.475 |
| Solvent | THF-D8 |
| Source File Reference | UWSI20676 |