| SpectraBase Compound ID | J1aSySVhmx5 |
|---|---|
| InChI | InChI=1S/C42H46O22/c1-16-28(48)32(52)35(55)40(58-16)59-21-12-22(46)27-23(13-21)60-37(18-5-9-20(45)10-6-18)38(31(27)51)63-42-39(34(54)29(49)24(14-43)61-42)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1 |
| InChIKey | KLAVZGAWRTUTCM-SXNRRDOQSA-N |
| Mol Weight | 902.8 g/mol |
| Molecular Formula | C42H46O22 |
| Exact Mass | 902.248073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LBkHMJcj22 |
|---|---|
| Name | KAEMPFEROL-3-O-(6-TRANS-PARA-COUMAROYL)-BETA-GLUCOPYRANOSYL-(1->2)-BETA-GLUCOPYRANO-SIDE-7-O-ALPHA-RHAMNOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O22 |
| InChI | InChI=1S/C42H46O22/c1-16-28(48)32(52)35(55)40(58-16)59-21-12-22(46)27-23(13-21)60-37(18-5-9-20(45)10-6-18)38(31(27)51)63-42-39(34(54)29(49)24(14-43)61-42)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32+,33-,34-,35+,36+,39+,40-,41-,42-/m0/s1 |
| InChIKey | KLAVZGAWRTUTCM-SXNRRDOQSA-N |
| Literature Reference Author | G.FICO,A.BRACA,A.R.BILIA,F.TOME,I.MORELLI |
| Literature Reference Citation | PLANTA.MED.,67,287(2001) |
| Literature Reference DOI | 10.1055/s-2001-11994 |
| Molecular Weight | 902.814 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP1539 |