| SpectraBase Compound ID | 5dnckU9mluD |
|---|---|
| InChI | InChI=1S/C61H83FO4Si2/c1-46(26-24-40-60(8,9)64-45-63-11)55-38-39-56-47(27-25-41-61(55,56)10)36-37-48-42-49(65-67(58(2,3)4,50-28-16-12-17-29-50)51-30-18-13-19-31-51)43-57(54(48)44-62)66-68(59(5,6)7,52-32-20-14-21-33-52)53-34-22-15-23-35-53/h12-23,28-37,44,46,49,55-57H,24-27,38-43,45H2,1-11H3/b47-36+,48-37+,54-44+/t46-,49-,55-,56?,57+,61?/m1/s1 |
| InChIKey | HJCCCAZITYHJPQ-YMMSCDHPSA-N |
| Mol Weight | 955.5 g/mol |
| Molecular Formula | C61H83FO4Si2 |
| Exact Mass | 954.581392 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOWisRQsIug |
|---|---|
| Name | (5E,10E)-19-FLUORO-1-ALPHA,25-DIHYDROXY-VITAMIN-D3-1,3-DI-TERT.-BUTYLDIPHENYLSILYL-25-METHOXYMETHYLETHER |
| Compound Number | 18B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H83FO4Si2 |
| InChI | InChI=1S/C61H83FO4Si2/c1-46(26-24-40-60(8,9)64-45-63-11)55-38-39-56-47(27-25-41-61(55,56)10)36-37-48-42-49(65-67(58(2,3)4,50-28-16-12-17-29-50)51-30-18-13-19-31-51)43-57(54(48)44-62)66-68(59(5,6)7,52-32-20-14-21-33-52)53-34-22-15-23-35-53/h12-23,28-37,44,46,49,55-57H,24-27,38-43,45H2,1-11H3/b47-36+,48-37+,54-44+/t46-,49-,55-,56?,57+,61?/m1/s1 |
| InChIKey | HJCCCAZITYHJPQ-YMMSCDHPSA-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 | UWVN28980 |