| SpectraBase Compound ID | 1cxzltC4rRO |
|---|---|
| InChI | InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29-,35+/m1/s1 |
| InChIKey | JQVXKQDWMIXILH-ZVLUUUFJSA-N |
| Mol Weight | 800.6 g/mol |
| Molecular Formula | C35H28O22 |
| Exact Mass | 800.107223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dk88K5JZW07 |
|---|---|
| Name | TETRAGALLOYLQUINIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H28O22 |
| InChI | InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29-,35+/m1/s1 |
| InChIKey | JQVXKQDWMIXILH-ZVLUUUFJSA-N |
| Literature Reference Author | A.NESZMELYI,B.KREHER,A.MUELLER,W.DORSCHH.WAGNER |
| Literature Reference Citation | PLANTA.MED.,59,164(1993) |
| Literature Reference DOI | 10.1055/s-2006-959635 |
| Molecular Weight | 800.594 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP434 |