| SpectraBase Compound ID | IbsXrE2CCGF |
|---|---|
| InChI | InChI=1S/C36H32O16/c37-19-5-1-15(9-23(19)41)11-27(33(45)46)51-35(49)31-29(17-3-7-21(39)25(43)13-17)30(18-4-8-22(40)26(44)14-18)32(31)36(50)52-28(34(47)48)12-16-2-6-20(38)24(42)10-16/h1-10,13-14,27-32,37-44H,11-12H2,(H,45,46)(H,47,48)/t27?,28?,29-,30-,31-,32-/m0/s1 |
| InChIKey | SUYLTDFWHNXGDX-YSXDQLAKSA-N |
| Mol Weight | 720.6 g/mol |
| Molecular Formula | C36H32O16 |
| Exact Mass | 720.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76RWPGkaljG |
|---|---|
| Name | SAGERINIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H32O16 |
| InChI | InChI=1S/C36H32O16/c37-19-5-1-15(9-23(19)41)11-27(33(45)46)51-35(49)31-29(17-3-7-21(39)25(43)13-17)30(18-4-8-22(40)26(44)14-18)32(31)36(50)52-28(34(47)48)12-16-2-6-20(38)24(42)10-16/h1-10,13-14,27-32,37-44H,11-12H2,(H,45,46)(H,47,48)/t27?,28?,29-,30-,31-,32-/m0/s1 |
| InChIKey | SUYLTDFWHNXGDX-YSXDQLAKSA-N |
| Literature Reference Author | Y.LU,L.Y.FOO |
| Literature Reference Citation | PHYTOCHEM.,51,91(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00730-4 |
| Molecular Weight | 720.640 g/mol |
| Solvent | D2O |
| Source File Reference | UWUC224 |