| SpectraBase Compound ID | GqazjACbOg0 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 |
| InChIKey | GMRQFYUYWCNGIN-NKMMMXOESA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoJRTXF4FYm |
|---|---|
| Name | 1-ALPHA,25-DIHYDROXYVITAMIN-D(3) |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 |
| InChIKey | GMRQFYUYWCNGIN-NKMMMXOESA-N |
| Literature Reference Author | C.GOMEZ-REINO,C.VITALE,M.MAESTRO,A.MOURINO |
| Literature Reference Citation | ORG.LETTERS,7,5885(2005) |
| Literature Reference DOI | 10.1021/ol052489c |
| Molecular Weight | 416.645 g/mol |
| Sample ID | 43524 |
| Solvent | CDCl3 |