| SpectraBase Compound ID | 5s3gtQD5Jbl |
|---|---|
| InChI | InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20+/m1/s1 |
| InChIKey | RHQXHDXIEARXSC-DGTJZYEHSA-N |
| Mol Weight | 402.36 g/mol |
| Molecular Formula | C20H18O9 |
| Exact Mass | 402.095082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFRXStkcRce |
|---|---|
| Name | CIMIFUGIC_ACID_M |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H18O9 |
| InChI | InChI=1S/C20H18O9/c21-14-8-6-12(10-15(14)22)7-9-16(23)29-17(18(24)25)20(28,19(26)27)11-13-4-2-1-3-5-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/b9-7+/t17-,20+/m1/s1 |
| InChIKey | RHQXHDXIEARXSC-DGTJZYEHSA-N |
| Literature Reference Author | A.IWANAGA,G.KUSANO,T.WARASHINA,T.MIYASE |
| Literature Reference Citation | J.NAT.PROD.,73,609(2010) |
| Literature Reference DOI | 10.1021/np900752t |
| Molecular Weight | 402.358 g/mol |
| Sample ID | 35216 |
| Solvent | CD3OD |