| SpectraBase Compound ID | LnDDihKJDlq |
|---|---|
| InChI | InChI=1S/C40H53O4P/c1-29(2)30(3)19-20-32(5)38-25-26-39-33(14-13-27-40(38,39)6)22-23-34-28-37(24-21-31(34)4)44-45(41,42-35-15-9-7-10-16-35)43-36-17-11-8-12-18-36/h7-12,15-20,22-23,29-30,32,37-39H,4,13-14,21,24-28H2,1-3,5-6H3/b20-19+,33-22+,34-23-/t30-,32?,37+,38-,39+,40-/m1/s1 |
| InChIKey | YCJSQIQFKGECQT-JEWVAKFESA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C40H53O4P |
| Exact Mass | 628.368147 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ie0C0HtEzHc |
|---|---|
| Name | ERGOCALCIFEROL-DIPHENYL-PHOSPHATE |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H53O4P |
| InChI | InChI=1S/C40H53O4P/c1-29(2)30(3)19-20-32(5)38-25-26-39-33(14-13-27-40(38,39)6)22-23-34-28-37(24-21-31(34)4)44-45(41,42-35-15-9-7-10-16-35)43-36-17-11-8-12-18-36/h7-12,15-20,22-23,29-30,32,37-39H,4,13-14,21,24-28H2,1-3,5-6H3/b20-19+,33-22+,34-23-/t30-,32?,37+,38-,39+,40-/m1/s1 |
| InChIKey | YCJSQIQFKGECQT-JEWVAKFESA-N |
| Literature Reference Author | S.JONES,D.SELITSIANOS,K.J.THOMPSON,S.M.TOMS |
| Literature Reference Citation | J.ORG.CHEM.,68,5211(2003) |
| Literature Reference DOI | 10.1021/jo034331g |
| Solvent | CDCl3 |
| Source File Reference | UWLU23908 |