| SpectraBase Compound ID | 4hKgeCNaupQ |
|---|---|
| InChI | InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22+/m1/s1 |
| InChIKey | YMPYAGUNPNITIL-AJMSFUPOSA-N |
| Mol Weight | 462.41 g/mol |
| Molecular Formula | C22H22O11 |
| Exact Mass | 462.116212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMQbanckUki |
|---|---|
| Name | CIMIFUGIC_ACID_N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O11 |
| InChI | InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22+/m1/s1 |
| InChIKey | YMPYAGUNPNITIL-AJMSFUPOSA-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 | 462.410 g/mol |
| Sample ID | 35217 |
| Solvent | CD3OD |