| SpectraBase Compound ID | FAkBc7A5n01 |
|---|---|
| InChI | InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,26,28,32-38,40,42-47H,3-12,14,16-25,27,29-31H2,1-2H3,(H,41,48)/b15-13+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | IASCSWGEBWPMAV-FIMFBYDXSA-N |
| Mol Weight | 714.0 g/mol |
| Molecular Formula | C40H75NO9 |
| Exact Mass | 713.544183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KKtVRc1opa |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,11E)-2-(2'R-HYDROXYHEXADECENOYLAMINO)-4,11-OCTADECADIENE-1,3-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H75NO9 |
| InChI | InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,26,28,32-38,40,42-47H,3-12,14,16-25,27,29-31H2,1-2H3,(H,41,48)/b15-13+,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | IASCSWGEBWPMAV-FIMFBYDXSA-N |
| Literature Reference Author | J.H.CHEN,G.Y.CUI,J.Y.LIU,R.X.TAN |
| Literature Reference Citation | PHYTOCHEM.,64,903(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00421-7 |
| Molecular Weight | 714.037 g/mol |
| Solvent | DMSO-D6:CDCl3=2:1 |
| Source File Reference | UWKP5764 |