| SpectraBase Compound ID | 49zt5VPYaTI |
|---|---|
| InChI | InChI=1S/C59H79FO3Si2/c1-44(25-23-39-58(8,9)61)53-37-38-54-45(26-24-40-59(53,54)10)35-36-46-41-47(62-64(56(2,3)4,48-27-15-11-16-28-48)49-29-17-12-18-30-49)42-55(52(46)43-60)63-65(57(5,6)7,50-31-19-13-20-32-50)51-33-21-14-22-34-51/h11-22,27-36,43-44,47,53-55,61H,23-26,37-42H2,1-10H3/b45-35+,46-36-,52-43+/t44-,47+,53-,54?,55+,59?/m0/s1 |
| InChIKey | YDGGIIZSFFQNSW-XZFGTDJASA-N |
| Mol Weight | 911.4 g/mol |
| Molecular Formula | C59H79FO3Si2 |
| Exact Mass | 910.555178 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HiLtSlj3s0 |
|---|---|
| Name | (10E)-19-FLUORO-1-ALPHA,25-DIHYDROXY-VITAMIN-D3-1,3-DI-TERT.-BUTYLDIPHENYLSILYLETHER |
| Compound Number | 21B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H79FO3Si2 |
| InChI | InChI=1S/C59H79FO3Si2/c1-44(25-23-39-58(8,9)61)53-37-38-54-45(26-24-40-59(53,54)10)35-36-46-41-47(62-64(56(2,3)4,48-27-15-11-16-28-48)49-29-17-12-18-30-49)42-55(52(46)43-60)63-65(57(5,6)7,50-31-19-13-20-32-50)51-33-21-14-22-34-51/h11-22,27-36,43-44,47,53-55,61H,23-26,37-42H2,1-10H3/b45-35+,46-36-,52-43+/t44-,47+,53-,54?,55+,59?/m0/s1 |
| InChIKey | YDGGIIZSFFQNSW-XZFGTDJASA-N |
| Literature Reference Author | M.SHIMIZU,A.OHNO,S.YAMADA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,312(2001) |
| Literature Reference DOI | 10.1248/cpb.49.312 |
| Solvent | CDCl3 |
| Source File Reference | UWVN28986 |