| SpectraBase Compound ID | 26zrIcHowDW |
|---|---|
| InChI | InChI=1S/C36H36O18/c1-14-26(42)30(46)34(54-35-32(48)29(45)27(43)23(53-35)13-49-24(41)9-3-15-2-8-19(38)20(39)10-15)36(50-14)51-18-11-21(40)25-22(12-18)52-33(31(47)28(25)44)16-4-6-17(37)7-5-16/h2-12,14,23,26-27,29-30,32,34-40,42-43,45-48H,13H2,1H3/b9-3+/t14-,23+,26-,27+,29-,30+,32+,34+,35?,36-/m0/s1 |
| InChIKey | JBSWLJUKDNZWDG-CYOCANJXSA-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 | 1kWOVv9gNPq |
|---|---|
| Name | KAEMPFEROL_7-O-(6-TRANS-CAFFEOYL)-BETA-GLUCOPYRANOSYL-(1->2)-ALPHA-RHAMOPYRANOSIDE;CHIIRICANIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O18 |
| InChI | InChI=1S/C36H36O18/c1-14-26(42)30(46)34(54-35-32(48)29(45)27(43)23(53-35)13-49-24(41)9-3-15-2-8-19(38)20(39)10-15)36(50-14)51-18-11-21(40)25-22(12-18)52-33(31(47)28(25)44)16-4-6-17(37)7-5-16/h2-12,14,23,26-27,29-30,32,34-40,42-43,45-48H,13H2,1H3/b9-3+/t14-,23+,26-,27+,29-,30+,32+,34+,35?,36-/m0/s1 |
| InChIKey | JBSWLJUKDNZWDG-CYOCANJXSA-N |
| Literature Reference Author | H.J.JEONG,W.K.WHANG,I.H.KIM |
| Literature Reference Citation | PLANTA.MED.,63,329(1997) |
| Literature Reference DOI | 10.1055/s-2006-957694 |
| Molecular Weight | 756.671 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP956 |