| SpectraBase Compound ID | Ip73AOtwCm |
|---|---|
| InChI | InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10-,11+,12-,13-,14+,15-,17-,18+/m0/s1 |
| InChIKey | DGDWCRWJRNMRKX-OKEASSFKSA-N |
| Mol Weight | 432.38 g/mol |
| Molecular Formula | C18H24O12 |
| Exact Mass | 432.126776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYFSpGgOlIS |
|---|---|
| Name | ASPERULOSIDIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H24O12 |
| InChI | InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10-,11+,12-,13-,14+,15-,17-,18+/m0/s1 |
| InChIKey | DGDWCRWJRNMRKX-OKEASSFKSA-N |
| Literature Reference Author | L.DEMIREZER,F.GUERBUEZ,Z.GUEVENALP,K.STROECH,A.ZEECK |
| Literature Reference Citation | TURK.J.CHEM.,30,525(2006) |
| Molecular Weight | 432.381 g/mol |
| Sample ID | 45666 |
| Solvent | CD3OD |