| SpectraBase Compound ID | 3ijLXQ2lNTZ |
|---|---|
| InChI | InChI=1S/C39H50O18/c1-47-22-9-18(10-23(48-2)31(22)43)35-20-15-54-36(21(20)16-53-35)19-11-26(51-5)37(27(12-19)52-6)55-28(13-40)30(42)17-7-24(49-3)38(25(8-17)50-4)57-39-34(46)33(45)32(44)29(14-41)56-39/h7-12,20-21,28-30,32-36,39-46H,13-16H2,1-6H3/t20-,21-,28?,29+,30?,32+,33-,34+,35+,36+,39-/m1/s1 |
| InChIKey | SLBIIHHTICFZHS-OTKSAWMFSA-N |
| Mol Weight | 806.8 g/mol |
| Molecular Formula | C39H50O18 |
| Exact Mass | 806.299715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4E8vv59slve |
|---|---|
| Name | ERYTHRO-1-(4-O-BETA-D-GLUCOYRANOSYL-3,5-DIMETHOXYPHENYL)-2-SYRINGARESINOXYL-PROPANE-1,3-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O18 |
| InChI | InChI=1S/C39H50O18/c1-47-22-9-18(10-23(48-2)31(22)43)35-20-15-54-36(21(20)16-53-35)19-11-26(51-5)37(27(12-19)52-6)55-28(13-40)30(42)17-7-24(49-3)38(25(8-17)50-4)57-39-34(46)33(45)32(44)29(14-41)56-39/h7-12,20-21,28-30,32-36,39-46H,13-16H2,1-6H3/t20-,21-,28?,29+,30?,32+,33-,34+,35+,36+,39-/m1/s1 |
| InChIKey | SLBIIHHTICFZHS-OTKSAWMFSA-N |
| Literature Reference Author | C.Z.WANG,D.Q.YU |
| Literature Reference Citation | PHYTOCHEM.,48,711(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00019-3 |
| Molecular Weight | 806.815 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1161 |