| SpectraBase Compound ID | 8Y5z21sR7W4 |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | OFHCOWSQAMBJIW-AVJTYSNKSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uwoF6iZmIG |
|---|---|
| Name | 1-ALPHA-HYDROXYVITAMIN-D(3) |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1 |
| InChIKey | OFHCOWSQAMBJIW-AVJTYSNKSA-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 | 400.645 g/mol |
| Sample ID | 43519 |
| Solvent | CDCl3 |