| SpectraBase Compound ID | 7hRgpTwPVBm |
|---|---|
| InChI | InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,27,35-39,41-43H,8-11,14,17-26,28-34H2,1-7H3/b13-12-,16-15-/t36-,37-,38+,39+,41-,42+,43+,45+,46-/m1/s1 |
| InChIKey | XXLILNVFRASZGT-SSAYFKIXSA-N |
| Mol Weight | 663.1 g/mol |
| Molecular Formula | C46H78O2 |
| Exact Mass | 662.600182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fr8QgtUgooS |
|---|---|
| Name | 3-BETA-LINOLEYLOXYERGOST-7-ENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78O2 |
| InChI | InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,27,35-39,41-43H,8-11,14,17-26,28-34H2,1-7H3/b13-12-,16-15-/t36-,37-,38+,39+,41-,42+,43+,45+,46-/m1/s1 |
| InChIKey | XXLILNVFRASZGT-SSAYFKIXSA-N |
| Literature Reference Author | J.ROESECKE,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,54,603(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00165-5 |
| Molecular Weight | 663.124 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1365 |