4,4-DIFLUORO-1,25-DIHYDROXY-VITAMIN-D3
Compound with spectra: 5 NMR
| SpectraBase Compound ID | GJFAYy0BDc9 |
|---|---|
| InChI | InChI=1S/C27H42F2O3/c1-17(8-6-14-25(3,4)32)20-12-13-22-19(9-7-15-26(20,22)5)10-11-21-18(2)23(30)16-24(31)27(21,28)29/h10-11,17,20,22-24,30-32H,2,6-9,12-16H2,1,3-5H3/b19-10+,21-11+/t17?,20?,22?,23-,24-,26?/m0/s1 |
| InChIKey | GCODTJZESMVHBK-UZGTWHEJSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C27H42F2O3 |
| Exact Mass | 452.310202 g/mol |
| Enantiomer InChIKey | GCODTJZESMVHBK-LCZKMVPRSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD2Cl2:CD3OD=2:1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | THF-D8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | BUFFER |
3-BETA-[(TERT.-BUTOXYCARBONYL)-AMINO]-3-DEOXY-1-ALPHA,25-DIHYDROVITAMIN-D3
Silane, [[(3.beta.,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triyl]tris(oxy)tris[trimethyl-
1-ALPHA-[(TERT.-BUTOXYCARBONYL)-AMINO]-25-HYDROXYVITAMIN-D3
[[(1.alpha.,3.beta.,5Z,7E)-3-[[(1,1-dimethylethyl)dimethylsilyl]-oxy]-1-fluoro-9,10-secochlesta-5,7,10(19)-trien-25-yl]oxy]-trimethylsilane
4-[(2'-Methylene-3',5'-dihydroxycyclohexylidene)ethylidene]-1-[1",5"-dimethyl-5"-hydroxy-4"-((benzoylamino)hexyl]-7a-methyl-(perhydro)indane
(1R,3S,5Z)-5-[(E)-2-((1R,3aS,7aR)-Hexahydro-1-{(S)-1-[5-(2-hydroxypropan-2-yl)-2H-tetrazol-2-yl]propan-2-yl}-7a-methyl-1H-inden-4(7aH)-ylidene)ethylidene]-4-methylenecyclohexane-1,3-diol
(23S,25R)-1.alpha.,25-Dihydroxyvitamin D3 26,23-Lactone
(3.beta.-5Z,7E,24R)-3-[(tert-Butyldimethylsilyl)oxy]-9,10-secocholesta-5,7,10(19)-triene-24,25-diol cyclic 24,25-(1-methylethylidene acetal)
(23R,25R)-25-Hydroxycholecalciferol-26,23-lactone
| Title | Journal or Book | Year |
|---|---|---|
| Fluorinated Vitamin D Analogs to Probe the Conformation of Vitamin D in Its Receptor Complex: 19F-NMR Studies and Biological Activity. | Chemical and Pharmaceutical Bulletin | 2002 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.