| SpectraBase Compound ID | IVMFg7i09aX |
|---|---|
| InChI | InChI=1S/C36H48O19/c1-17-26(41)27(42)28(43)33(52-17)50-14-24-30(54-25(40)9-6-18-4-7-20(38)23(13-18)48-3)31(55-35-32(45)36(46,15-37)16-51-35)29(44)34(53-24)49-11-10-19-5-8-22(47-2)21(39)12-19/h4-9,12-13,17,24,26-35,37-39,41-46H,10-11,14-16H2,1-3H3/b9-6+/t17-,24-,26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | IBZBYLPAHLAUMG-LBGJGNCASA-N |
| Mol Weight | 784.8 g/mol |
| Molecular Formula | C36H48O19 |
| Exact Mass | 784.278979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbG4eovs8ns |
|---|---|
| Name | PEDICULARIOSIDE-N;#4;1'-O-BETA-D-(3-HYDROXY-4-METHOXY-BETA-PHENYL)-ETHYL-4'-O-FERULOYL-BETA-D-APIOFURANOSYL-(1->3')-ALPHA-L-RHAMNOPYRANOSYL-(1->6')-GLUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O19 |
| InChI | InChI=1S/C36H48O19/c1-17-26(41)27(42)28(43)33(52-17)50-14-24-30(54-25(40)9-6-18-4-7-20(38)23(13-18)48-3)31(55-35-32(45)36(46,15-37)16-51-35)29(44)34(53-24)49-11-10-19-5-8-22(47-2)21(39)12-19/h4-9,12-13,17,24,26-35,37-39,41-46H,10-11,14-16H2,1-3H3/b9-6+/t17-,24-,26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36+/m1/s1 |
| InChIKey | IBZBYLPAHLAUMG-LBGJGNCASA-N |
| Literature Reference Author | J.ZHONG-JIAN,G.JIAN-JUN |
| Literature Reference Citation | PHYTOCHEM.,34,1188(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90744-1 |
| Molecular Weight | 784.766 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN6574 |