![1-O-[BETA]-D-GLUCOPYRANOSYL-(2S,3S,4R,10E)-2-[(2'R)-2'-HYDROXYLTRICOSANOYL-AMINO]-10-OCTADECENE-1,3,4-TRIOL](/api/spectrum/DXZXfQKA59Y/structure.png?h=300&w=458 "1-O-[BETA]-D-GLUCOPYRANOSYL-(2S,3S,4R,10E)-2-[(2'R)-2'-HYDROXYLTRICOSANOYL-AMINO]-10-OCTADECENE-1,3,4-TRIOL")
| SpectraBase Compound ID | CrIhKdOFOCN |
|---|---|
| InChI | InChI=1S/C47H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(51)46(56)48-38(37-57-47-45(55)44(54)43(53)41(36-49)58-47)42(52)39(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,38-45,47,49-55H,3-15,17-23,25-37H2,1-2H3,(H,48,56)/b24-16+/t38-,39+,40+,41-,42-,43-,44+,45-,47-/m0/s1 |
| InChIKey | AVYAQWMFKDUTIG-UYRQWHFJSA-N |
| Mol Weight | 830.2 g/mol |
| Molecular Formula | C47H91NO10 |
| Exact Mass | 829.664298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXZXfQKA59Y |
|---|---|
| Name | 1-O-[BETA]-D-GLUCOPYRANOSYL-(2S,3S,4R,10E)-2-[(2'R)-2'-HYDROXYLTRICOSANOYL-AMINO]-10-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 | C47H91NO10 |
| InChI | InChI=1S/C47H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(51)46(56)48-38(37-57-47-45(55)44(54)43(53)41(36-49)58-47)42(52)39(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,38-45,47,49-55H,3-15,17-23,25-37H2,1-2H3,(H,48,56)/b24-16+/t38-,39+,40+,41-,42-,43-,44+,45-,47-/m0/s1 |
| InChIKey | AVYAQWMFKDUTIG-UYRQWHFJSA-N |
| Literature Reference Author | L.CHEN,H.LI,H.SONG,G.ZHANG |
| Literature Reference Citation | FITOTERAPIA,80,517(2009) |
| Literature Reference DOI | 10.1016/j.fitote.2009.06.010 |
| Molecular Weight | 830.240 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMB1016 |