![1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,8Z)-2-[(2'R)-2'-HYDROXYPALMITO-YLAMINO]-8-OCTADECENE-1,3,4'-TRIOL](/api/spectrum/KW3X5iOPRPC/structure.png?h=300&w=458 "1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,8Z)-2-[(2'R)-2'-HYDROXYPALMITO-YLAMINO]-8-OCTADECENE-1,3,4'-TRIOL")
| SpectraBase Compound ID | J6ax8AAs5Uw |
|---|---|
| InChI | InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19-/t31-,32-,33?,34-,35+,36-,37+,38-,40-/m0/s1 |
| InChIKey | AYBHLNMQTQBJBX-XPVNMSAXSA-N |
| Mol Weight | 732.1 g/mol |
| Molecular Formula | C40H77NO10 |
| Exact Mass | 731.554748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KW3X5iOPRPC |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,8Z)-2-[(2'R)-2'-HYDROXYPALMITO-YLAMINO]-8-OCTADECENE-1,3,4'-TRIOL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H77NO10 |
| InChI | InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19-/t31-,32-,33?,34-,35+,36-,37+,38-,40-/m0/s1 |
| InChIKey | AYBHLNMQTQBJBX-XPVNMSAXSA-N |
| Literature Reference Author | F.M.M.DARWISH,M.G.REINECKE |
| Literature Reference Citation | PHYTOCHEM.,62,1179(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00021-9 |
| Molecular Weight | 732.052 g/mol |
| Solvent | DMSO |
| Source File Reference | UWLU29610 |