| SpectraBase Compound ID | 5A4ZLDraVj8 |
|---|---|
| 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-/m1/s1 |
| InChIKey | MECHNRXZTMCUDQ-AWTFWNFXSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNhf6vnKQ8A |
|---|---|
| Name | VITAMIN-D2 |
| CAS Registry Number | 50-14-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/m1/s1 |
| InChIKey | MECHNRXZTMCUDQ-AWTFWNFXSA-N |
| Literature Reference Author | E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES |
| Literature Reference Citation | J.ORG.CHEM.,42,3325(1977) |
| Literature Reference DOI | 10.1021/jo00441a001 |
| Molecular Weight | 396.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5074 |