| SpectraBase Compound ID | 40d1RQQ7jPE |
|---|---|
| InChI | InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-11-20(40)25-21(12-19)51-33(16-4-8-18(39)9-5-16)34(28(25)44)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+/t22-,23+,26-,27+,29+,30-,31-,32+,35-,36-/m0/s1 |
| InChIKey | ICHAVOGAOVFEKK-CAKBXQEGSA-N |
| Mol Weight | 756.7 g/mol |
| Molecular Formula | C36H36O18 |
| Exact Mass | 756.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpMXX0f3Jvl |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-(6''-E-PARA-COUMAROYLGLUCOPYRANOSIDE)-7-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O18 |
| InChI | InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-11-20(40)25-21(12-19)51-33(16-4-8-18(39)9-5-16)34(28(25)44)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+/t22-,23+,26-,27+,29+,30-,31-,32+,35-,36-/m0/s1 |
| InChIKey | ICHAVOGAOVFEKK-CAKBXQEGSA-N |
| Literature Reference Author | A.M.D.E.MOUSALLAMI,M.S.AFIFI,S.A.M.HUSSEIN |
| Literature Reference Citation | PHYTOCHEM.,60,807(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00177-2 |
| Molecular Weight | 756.671 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS1833 |