| SpectraBase Compound ID | HSBWfnJwXW5 |
|---|---|
| InChI | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 |
| InChIKey | MECHNRXZTMCUDQ-RKHKHRCZSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DvyiJzAojYv |
|---|---|
| Name | ERGOCALCIFEROL |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 50-14-6 |
| Comments | Some carbon atoms are unassigned; Tentative assignment |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 |
| InChIKey | MECHNRXZTMCUDQ-RKHKHRCZSA-N |
| Melting Point | 114-116C |
| Molecular Weight | 396.66 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | VITAMIN D2 |