| SpectraBase Compound ID | H4OMbHolFIE |
|---|---|
| InChI | InChI=1S/2C24H22O14/c2*25-13-5-1-11(9-15(13)27)3-7-17(29)37-21(20(32)23(33)34)19(31)22(24(35)36)38-18(30)8-4-12-2-6-14(26)16(28)10-12/h2*1-10,19-22,25-28,31-32H,(H,33,34)(H,35,36)/b2*7-3+,8-4+/t19-,20+,21-,22-;19-,20-,21-,22+/m00/s1 |
| InChIKey | MRQIOPOUALZJQR-PVOJQQAWSA-N |
| Mol Weight | 1068.85 g/mol |
| Molecular Formula | C48H44O28 |
| Exact Mass | 1068.201911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GO1IKiuypB8 |
|---|---|
| Name | 2,4/3,5-DICAFFEOYL-GLUCARIC-ACID |
| Compound Number | C-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H44O28 |
| InChI | InChI=1S/2C24H22O14/c2*25-13-5-1-11(9-15(13)27)3-7-17(29)37-21(20(32)23(33)34)19(31)22(24(35)36)38-18(30)8-4-12-2-6-14(26)16(28)10-12/h2*1-10,19-22,25-28,31-32H,(H,33,34)(H,35,36)/b2*7-3+,8-4+/t19-,20+,21-,22-;19-,20-,21-,22+/m00/s1 |
| InChIKey | MRQIOPOUALZJQR-PVOJQQAWSA-N |
| Literature Reference Author | M.MAAS,F.PETEREIT,A.HENSEL |
| Literature Reference Citation | MOLECULES,14,36(2009) |
| Literature Reference DOI | 10.3390/molecules14010036 |
| Molecular Weight | 1068.861 g/mol |
| Sample ID | 69012 |
| Solvent | CD3OD |