| SpectraBase Compound ID | 9XQ6qIjcCIR |
|---|---|
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1 |
| InChIKey | QYSXJUFSXHHAJI-FVUVGDFOSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyuIcn5P0g4 |
|---|---|
| Name | CHOLECALCIFEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1 |
| InChIKey | QYSXJUFSXHHAJI-FVUVGDFOSA-N |
| Literature Reference Author | T.E.BURROW,D.C.BURNS,K.KRISHNAMURTHY,W.F.REYNOLDS |
| Literature Reference Citation | MAGN.RES.CHEM.,52,195(2014) |
| Literature Reference DOI | 10.1002/mrc.4050 |
| Molecular Weight | 384.646 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT15720 |