| SpectraBase Compound ID | XIoVBnOa41 |
|---|---|
| InChI | InChI=1S/C31H37NO17/c1-45-19-6-12(2-4-17(19)46-30-27(41)25(39)23(37)20(10-33)48-30)3-5-22(36)32-14-9-18(16(35)8-13(14)7-15(32)29(43)44)47-31-28(42)26(40)24(38)21(11-34)49-31/h2-6,8-9,15,20-21,23-28,30-31,33-35,37-42H,7,10-11H2,1H3,(H,43,44)/b5-3+/t15-,20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m0/s1 |
| InChIKey | GRIGERORCOQKIJ-WCGLPVQSSA-N |
| Mol Weight | 695.6 g/mol |
| Molecular Formula | C31H37NO17 |
| Exact Mass | 695.206149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ASy1COWT9s |
|---|---|
| Name | OLERACEIN_D;5-HYDROXY-1-(FERULIC_ACYL-7'-O-BETA-GLUCOPYRANOSE)-2,3-DIHYDRO-1-H-INDOLE-2-CARBOXYLIC_ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H37NO17 |
| InChI | InChI=1S/C31H37NO17/c1-45-19-6-12(2-4-17(19)46-30-27(41)25(39)23(37)20(10-33)48-30)3-5-22(36)32-14-9-18(16(35)8-13(14)7-15(32)29(43)44)47-31-28(42)26(40)24(38)21(11-34)49-31/h2-6,8-9,15,20-21,23-28,30-31,33-35,37-42H,7,10-11H2,1H3,(H,43,44)/b5-3+/t15-,20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m0/s1 |
| InChIKey | GRIGERORCOQKIJ-WCGLPVQSSA-N |
| Literature Reference Author | L.XIANG,D.XING,W.WANG,R.WANG,Y.DING,L.DU |
| Literature Reference Citation | PHYTOCHEM.,66,2595(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.08.011 |
| Molecular Weight | 695.631 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ19751 |