| SpectraBase Compound ID | JVIsQ5VzeNL |
|---|---|
| InChI | InChI=1S/C37H46O20/c1-37(14-25(42)43,57-36-32(50)30(48)34(24(17-39)54-36)55-26(44)10-7-18-5-8-20(40)9-6-18)15-27(45)52-11-3-4-19-12-21(41)33(22(13-19)51-2)56-35-31(49)29(47)28(46)23(16-38)53-35/h3-10,12-13,23-24,28-32,34-36,38-41,46-50H,11,14-17H2,1-2H3,(H,42,43)/b4-3+,10-7+/t23-,24+,28-,29+,30+,31-,32+,34+,35+,36-,37?/m0/s1 |
| InChIKey | WEAINGHWXNJUEY-UJAVVCGVSA-N |
| Mol Weight | 810.8 g/mol |
| Molecular Formula | C37H46O20 |
| Exact Mass | 810.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJzFfWbZHfK |
|---|---|
| Name | TRANS-BARBATOSIDE-C;WAHLENBERGIOSIDE-3'-O-(4'''-PARA-COUMAROYL)-GLUCOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O20 |
| InChI | InChI=1S/C37H46O20/c1-37(14-25(42)43,57-36-32(50)30(48)34(24(17-39)54-36)55-26(44)10-7-18-5-8-20(40)9-6-18)15-27(45)52-11-3-4-19-12-21(41)33(22(13-19)51-2)56-35-31(49)29(47)28(46)23(16-38)53-35/h3-10,12-13,23-24,28-32,34-36,38-41,46-50H,11,14-17H2,1-2H3,(H,42,43)/b4-3+,10-7+/t23-,24+,28-,29+,30+,31-,32+,34+,35+,36-,37?/m0/s1 |
| InChIKey | WEAINGHWXNJUEY-UJAVVCGVSA-N |
| Literature Reference Author | M.CUENDET,O.POTTERAT,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,56,631(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00423-4 |
| Molecular Weight | 810.760 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2008 |