| SpectraBase Compound ID | 61KuoE99GW |
|---|---|
| InChI | InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(51)37-42(52)41(39-57-48-47(56)46(55)45(54)43(38-50)58-48)49-44(53)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,33,35,40-43,45-48,50-52,54-56H,3-26,28,30-32,34,36-39H2,1-2H3,(H,49,53)/b29-27+,35-33+/t40?,41?,42?,43-,45-,46+,47-,48-/m0/s1 |
| InChIKey | HZVBMWDBPDFSPH-OTIUWIQCSA-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 | 56KKRzER5yG |
|---|---|
| Name | 1,3,5-TRIHYDROXY-2-HEXADECANOYLAMINO-(6E,9E)-HEPTACOSDIENE-1-O-GLUCOPYRANOSIDE |
| 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/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(51)37-42(52)41(39-57-48-47(56)46(55)45(54)43(38-50)58-48)49-44(53)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,33,35,40-43,45-48,50-52,54-56H,3-26,28,30-32,34,36-39H2,1-2H3,(H,49,53)/b29-27+,35-33+/t40?,41?,42?,43-,45-,46+,47-,48-/m0/s1 |
| InChIKey | HZVBMWDBPDFSPH-OTIUWIQCSA-N |
| Literature Reference Author | N.MUKHTAR,K.IQBAL,A.MALIK |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,1558(2002) |
| Literature Reference DOI | 10.1248/cpb.50.1558 |
| Molecular Weight | 826.252 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20285 |