| SpectraBase Compound ID | HMMITxXrJXe |
|---|---|
| InChI | InChI=1S/C61H85FO5Si2/c1-46(26-24-40-59(8,9)65-45-64-11)54-38-39-55-47(27-25-41-60(54,55)10)36-37-48-42-49(66-68(57(2,3)4,50-28-16-12-17-29-50)51-30-18-13-19-31-51)43-56(61(48,63)44-62)67-69(58(5,6)7,52-32-20-14-21-33-52)53-34-22-15-23-35-53/h12-23,28-37,46,49,54-56,63H,24-27,38-45H2,1-11H3/b47-36+,48-37+/t46-,49-,54-,55?,56+,60?,61?/m1/s1 |
| InChIKey | JHXOAOJKHBKGQU-GCQDHYBNSA-N |
| Mol Weight | 973.5 g/mol |
| Molecular Formula | C61H85FO5Si2 |
| Exact Mass | 972.591957 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ftm5J59KJJd |
|---|---|
| Name | (5E)-10-HYDROXY-10-FLUOROMETHYL-19-NOR-1-ALPHA,25-DIHYDROXY-VITAMIN-D3-1,3-DI-TERT.-BUTYLDIPHENYLSILYL-25-METHOXYMETHYLETHER;MAJOR-EPIMER |
| Compound Number | 19A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H85FO5Si2 |
| InChI | InChI=1S/C61H85FO5Si2/c1-46(26-24-40-59(8,9)65-45-64-11)54-38-39-55-47(27-25-41-60(54,55)10)36-37-48-42-49(66-68(57(2,3)4,50-28-16-12-17-29-50)51-30-18-13-19-31-51)43-56(61(48,63)44-62)67-69(58(5,6)7,52-32-20-14-21-33-52)53-34-22-15-23-35-53/h12-23,28-37,46,49,54-56,63H,24-27,38-45H2,1-11H3/b47-36+,48-37+/t46-,49-,54-,55?,56+,60?,61?/m1/s1 |
| InChIKey | JHXOAOJKHBKGQU-GCQDHYBNSA-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 | UWVN28981 |