![1-O-D-GLUCOPYRANOSYL-(2S,3R,9E,12E)-2-N-[(2R)-HYDROXYTETRACOSANOYL]-OCTADECASPHINGA-9,12-DIENINE](/api/spectrum/8JA5pKE4ZSJ/structure.png?h=300&w=458 "1-O-D-GLUCOPYRANOSYL-(2S,3R,9E,12E)-2-N-[(2R)-HYDROXYTETRACOSANOYL]-OCTADECASPHINGA-9,12-DIENINE")
| SpectraBase Compound ID | 61ZdrnxqLik |
|---|---|
| InChI | InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h12,14,24,26,40-46,48,50-55H,3-11,13,15-23,25,27-39H2,1-2H3,(H,49,56)/b14-12+,26-24+/t40-,41+,42+,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | AKJFWYARNWIIBW-QOBRBVAASA-N |
| Mol Weight | 826.3 g/mol |
| Molecular Formula | C48H91NO9 |
| Exact Mass | 825.669384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JA5pKE4ZSJ |
|---|---|
| Name | 1-O-D-GLUCOPYRANOSYL-(2S,3R,9E,12E)-2-N-[(2R)-HYDROXYTETRACOSANOYL]-OCTADECASPHINGA-9,12-DIENINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H91NO9 |
| InChI | InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h12,14,24,26,40-46,48,50-55H,3-11,13,15-23,25,27-39H2,1-2H3,(H,49,56)/b14-12+,26-24+/t40-,41+,42+,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | AKJFWYARNWIIBW-QOBRBVAASA-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 | 826.252 g/mol |
| Sample ID | 63760 |
| Solvent | C5D5N |