| SpectraBase Compound ID | Ipc0lELIPbd |
|---|---|
| InChI | InChI=1S/2C27H42F2O/c2*1-18(2)8-6-9-19(3)22-14-15-24-21(10-7-17-26(22,24)5)12-13-23-20(4)11-16-25(30)27(23,28)29/h2*12-13,18-19,22,24-25,30H,4,6-11,14-17H2,1-3,5H3/b2*21-12+,23-13+/t2*19?,22?,24?,25-,26?/m00/s1 |
| InChIKey | QKGWWXZZEHLOTN-NOBZVDMLSA-N |
| Mol Weight | 841.3 g/mol |
| Molecular Formula | C54H84F4O2 |
| Exact Mass | 840.640745 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zXPkwETXei |
|---|---|
| Name | 4,4-DIFLUORO-VITAMIN-D3 |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84F4O2 |
| InChI | InChI=1S/2C27H42F2O/c2*1-18(2)8-6-9-19(3)22-14-15-24-21(10-7-17-26(22,24)5)12-13-23-20(4)11-16-25(30)27(23,28)29/h2*12-13,18-19,22,24-25,30H,4,6-11,14-17H2,1-3,5H3/b2*21-12+,23-13+/t2*19?,22?,24?,25-,26?/m00/s1 |
| InChIKey | QKGWWXZZEHLOTN-NOBZVDMLSA-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 | CD2Cl2:CD2OD=2:1 |
| Source File Reference | UWSI20682 |