| SpectraBase Compound ID | 6UwTFHq9ehH |
|---|---|
| InChI | InChI=1S/C48H86O/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36-49-42-30-32-46(7)40(44(42,4)5)29-33-48(9)41(46)27-26-39-43-38(37(2)3)28-31-45(43,6)34-35-47(39,48)8/h38-43H,2,10-36H2,1,3-9H3/t38-,39+,40?,41?,42-,43+,45+,46-,47+,48+/m0/s1 |
| InChIKey | VLKNYRUYBWUNDP-HLSCVEMLSA-N |
| Mol Weight | 679.2 g/mol |
| Molecular Formula | C48H86O |
| Exact Mass | 678.667867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Ox54hpLWyt |
|---|---|
| Name | LUPEYL-STEARYL-ETHER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H86O |
| InChI | InChI=1S/C48H86O/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36-49-42-30-32-46(7)40(44(42,4)5)29-33-48(9)41(46)27-26-39-43-38(37(2)3)28-31-45(43,6)34-35-47(39,48)8/h38-43H,2,10-36H2,1,3-9H3/t38-,39+,40?,41?,42-,43+,45+,46-,47+,48+/m0/s1 |
| InChIKey | VLKNYRUYBWUNDP-HLSCVEMLSA-N |
| Literature Reference Author | X.BABADY-BYLA,W.HERZ |
| Literature Reference Citation | PHYTOCHEM.,42,501(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00944-2 |
| Molecular Weight | 679.210 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3371 |