![(2S,3S,4R,8E)-2-[(2'R)-2'-HYDROXYTETRACOSENOILAMINO]-8-OCTADECENE-1,3,4-TRIOL](/api/spectrum/9Hnwp8IeynJ/structure.png?h=300&w=458 "(2S,3S,4R,8E)-2-[(2'R)-2'-HYDROXYTETRACOSENOILAMINO]-8-OCTADECENE-1,3,4-TRIOL")
| SpectraBase Compound ID | 8U41csjuCva |
|---|---|
| InChI | InChI=1S/C42H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,27,29,38-41,44-47H,3-16,19-26,28,30-37H2,1-2H3,(H,43,48)/b18-17+,29-27+/t38-,39+,40+,41-/m0/s1 |
| InChIKey | QYYCNPXRGLTWGS-LLTNGMAASA-N |
| Mol Weight | 680.1 g/mol |
| Molecular Formula | C42H81NO5 |
| Exact Mass | 679.611475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Hnwp8IeynJ |
|---|---|
| Name | (2S,3S,4R,8E)-2-[(2'R)-2'-HYDROXYTETRACOSENOILAMINO]-8-OCTADECENE-1,3,4-TRIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H81NO5 |
| InChI | InChI=1S/C42H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,27,29,38-41,44-47H,3-16,19-26,28,30-37H2,1-2H3,(H,43,48)/b18-17+,29-27+/t38-,39+,40+,41-/m0/s1 |
| InChIKey | QYYCNPXRGLTWGS-LLTNGMAASA-N |
| Literature Reference Author | D.PEI,J.X.LIU,D.L.DI |
| Literature Reference Citation | FITOTERAPIA,81,838(2010) |
| Literature Reference DOI | 10.1016/j.fitote.2010.05.006 |
| Molecular Weight | 680.109 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMB1079 |