![1-O-([BETA]-D-GLUCOPYRANOSYL)-(2S,3S,4R,8E)-2-[(2'R)-2'-HYDROXYTETRACOSENOILAMINO]-8-OCTADECENE-1,3,4-TRIOL](/api/spectrum/Dtf5gWZmHkr/structure.png?h=300&w=458 "1-O-([BETA]-D-GLUCOPYRANOSYL)-(2S,3S,4R,8E)-2-[(2'R)-2'-HYDROXYTETRACOSENOILAMINO]-8-OCTADECENE-1,3,4-TRIOL")
| SpectraBase Compound ID | 5HkwQB1lAyd |
|---|---|
| InChI | InChI=1S/C48H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,27,29,39-46,48,50-56H,3-16,19-26,28,30-38H2,1-2H3,(H,49,57)/b18-17-,29-27+/t39-,40+,41+,42-,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | CQYHNLFWOGWAJL-CQBWKHIASA-N |
| Mol Weight | 842.3 g/mol |
| Molecular Formula | C48H91NO10 |
| Exact Mass | 841.664298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dtf5gWZmHkr |
|---|---|
| Name | 1-O-([BETA]-D-GLUCOPYRANOSYL)-(2S,3S,4R,8E)-2-[(2'R)-2'-HYDROXYTETRACOSENOILAMINO]-8-OCTADECENE-1,3,4-TRIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H91NO10 |
| InChI | InChI=1S/C48H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,27,29,39-46,48,50-56H,3-16,19-26,28,30-38H2,1-2H3,(H,49,57)/b18-17-,29-27+/t39-,40+,41+,42-,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | CQYHNLFWOGWAJL-CQBWKHIASA-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 | 842.251 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMB1078 |