| SpectraBase Compound ID | AyoApWygJhg |
|---|---|
| InChI | InChI=1S/2C27H43FO/c2*1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h2*10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b2*21-10+,22-11+,23-18-/t2*20?,24-,25?,26?,27?/m11/s1 |
| InChIKey | WFLAMNPWNLGYCG-BUWLLVMCSA-N |
| Mol Weight | 805.3 g/mol |
| Molecular Formula | C54H86F2O2 |
| Exact Mass | 804.659588 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTTOKqDGbKH |
|---|---|
| Name | 10E-19-FLUORO-VITAMIN-D3 |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86F2O2 |
| InChI | InChI=1S/2C27H43FO/c2*1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h2*10-11,18-20,24-26,29H,5-9,12-17H2,1-4H3/b2*21-10+,22-11+,23-18-/t2*20?,24-,25?,26?,27?/m11/s1 |
| InChIKey | WFLAMNPWNLGYCG-BUWLLVMCSA-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:CD3OD=2:1 |
| Source File Reference | UWSI20699 |