| SpectraBase Compound ID | 5w4JSWcHFMT |
|---|---|
| InChI | InChI=1S/2C27H43FO3/c2*1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h2*9-10,17-18,21,23-25,29-31H,5-8,11-16H2,1-4H3/b2*19-9+,20-10+,22-17+/t2*18?,21-,23?,24?,25+,27?/m00/s1 |
| InChIKey | PTADMAMNXCXLTR-NNBFPMDJSA-N |
| Mol Weight | 869.3 g/mol |
| Molecular Formula | C54H86F2O6 |
| Exact Mass | 868.639247 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkZ2bh9vu7J |
|---|---|
| Name | 10E-19-FLUORO-1,25-DIHYDROXY-VITAMIN-D3 |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86F2O6 |
| InChI | InChI=1S/2C27H43FO3/c2*1-18(7-5-13-26(2,3)31)23-11-12-24-19(8-6-14-27(23,24)4)9-10-20-15-21(29)16-25(30)22(20)17-28/h2*9-10,17-18,21,23-25,29-31H,5-8,11-16H2,1-4H3/b2*19-9+,20-10+,22-17+/t2*18?,21-,23?,24?,25+,27?/m00/s1 |
| InChIKey | PTADMAMNXCXLTR-NNBFPMDJSA-N |
| Literature Reference Author | A.OHNO,M.SHIMIZU,S.YAMADA |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,475(2002) |
| Literature Reference DOI | 10.1248/cpb.50.475 |
| Solvent | CD2Cl2:CD3OD=2:1 |
| Source File Reference | UWSI20691 |