| SpectraBase Compound ID | 5XcFElKZU2v |
|---|---|
| InChI | InChI=1S/C22H22O11/c1-31-15-9-13(10-16(32-2)18(15)25)5-8-17(24)33-19(20(26)27)22(30,21(28)29)11-12-3-6-14(23)7-4-12/h3-10,19,23,25,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22-/m1/s1 |
| InChIKey | BTQPTWPZTSYUPW-AHKCGJDQSA-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 | Hdq4OODSVi4 |
|---|---|
| Name | CIMICIFUGIC_ACID_J;2-SINAPOYLPISCIDIC_ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O11 |
| InChI | InChI=1S/C22H22O11/c1-31-15-9-13(10-16(32-2)18(15)25)5-8-17(24)33-19(20(26)27)22(30,21(28)29)11-12-3-6-14(23)7-4-12/h3-10,19,23,25,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22-/m1/s1 |
| InChIKey | BTQPTWPZTSYUPW-AHKCGJDQSA-N |
| Literature Reference Author | A.IWANAGA,G.KUSANO,T.WARASHINA,T.MIYASE |
| Literature Reference Citation | J.NAT.PROD.,73,573(2010) |
| Literature Reference DOI | 10.1021/np900675n |
| Molecular Weight | 462.410 g/mol |
| Sample ID | 35191 |
| Solvent | CD3OD |