| SpectraBase Compound ID | ARfPmOwT3ym |
|---|---|
| InChI | InChI=1S/C26H42F2O3/c1-17(11-13-26(27,28)24(2,3)31)22-9-10-23-19(6-5-12-25(22,23)4)8-7-18-14-20(29)16-21(30)15-18/h7-8,17,20-23,29-31H,5-6,9-16H2,1-4H3/b19-8+/t17-,20+,21+,22+,23-,25+/m0/s1 |
| InChIKey | ITEJLGRCCCYASD-XAIYVRTCSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C26H42F2O3 |
| Exact Mass | 440.310202 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1x8JzolQH1L |
|---|---|
| Name | (20S)-1.alpha.,25-Dihydroxy-24,24-difluoro-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42F2O3 |
| InChI | InChI=1S/C26H42F2O3/c1-17(11-13-26(27,28)24(2,3)31)22-9-10-23-19(6-5-12-25(22,23)4)8-7-18-14-20(29)16-21(30)15-18/h7-8,17,20-23,29-31H,5-6,9-16H2,1-4H3/b19-8+/t17-,20+,21+,22+,23-,25+/m0/s1 |
| InChIKey | ITEJLGRCCCYASD-XAIYVRTCSA-N |
| Instrument Name | Micromass AutoSpec |
| Ionization Type | EI |
| Molecular Weight | 440.616 g/mol |
| SMILES | O[C@@]1(CC(C[C@](C1)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@@](C)(CCC(C(O)(C)C)(F)F)[H])[H])C)[H])[H] |
| SPLASH | splash10-000t-1900000000-58dd31f6242286559791 |
| Source of Spectrum | US20160347710A1 |
| Wiley ID | 1853190 |