![1-O-D-GLUCOPYRANOSYL-(2S,3S,4R,9E,12E)-2-N-[(2R)-HYDROXYPENTACOSANOYL]-OCTADECASPHINGA-9,12-DIENINE](/api/spectrum/DTE5BvqFHzc/structure.png?h=300&w=458 "1-O-D-GLUCOPYRANOSYL-(2S,3S,4R,9E,12E)-2-N-[(2R)-HYDROXYPENTACOSANOYL]-OCTADECASPHINGA-9,12-DIENINE")
| SpectraBase Compound ID | Law8QwkUlVk |
|---|---|
| InChI | InChI=1S/C49H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(53)48(58)50-40(39-59-49-47(57)46(56)45(55)43(38-51)60-49)44(54)41(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h12,14,26,28,40-47,49,51-57H,3-11,13,15-25,27,29-39H2,1-2H3,(H,50,58)/b14-12+,28-26+/t40-,41+,42-,43-,44-,45-,46+,47-,49-/m0/s1 |
| InChIKey | YGOOIZAMXUCXLL-JEZIBARISA-N |
| Mol Weight | 856.3 g/mol |
| Molecular Formula | C49H93NO10 |
| Exact Mass | 855.679948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTE5BvqFHzc |
|---|---|
| Name | 1-O-D-GLUCOPYRANOSYL-(2S,3S,4R,9E,12E)-2-N-[(2R)-HYDROXYPENTACOSANOYL]-OCTADECASPHINGA-9,12-DIENINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H93NO10 |
| InChI | InChI=1S/C49H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(53)48(58)50-40(39-59-49-47(57)46(56)45(55)43(38-51)60-49)44(54)41(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h12,14,26,28,40-47,49,51-57H,3-11,13,15-25,27,29-39H2,1-2H3,(H,50,58)/b14-12+,28-26+/t40-,41+,42-,43-,44-,45-,46+,47-,49-/m0/s1 |
| InChIKey | YGOOIZAMXUCXLL-JEZIBARISA-N |
| Literature Reference Author | A.U.RAHMAN,S.ZAREEN,M.I.CHOUDHARY,M.N.AKHTAR,F.N.NGOUNOU |
| Literature Reference Citation | PHYTOCHEM.,69,2400(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.05.006 |
| Molecular Weight | 856.278 g/mol |
| Sample ID | 63761 |
| Solvent | C5D5N |