| SpectraBase Compound ID | Lv7Ph7lCHEO |
|---|---|
| InChI | InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22+/m1/s1 |
| InChIKey | SQGQTKZMNQBRTK-CNYDCXOLSA-N |
| Mol Weight | 446.41 g/mol |
| Molecular Formula | C22H22O10 |
| Exact Mass | 446.121297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TwGcqUmdnD |
|---|---|
| Name | CIMIFUGIC_ACID_L |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O10 |
| InChI | InChI=1S/C22H22O10/c1-30-16-9-5-13(11-17(16)31-2)6-10-18(24)32-19(20(25)26)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23,29H,12H2,1-2H3,(H,25,26)(H,27,28)/b10-6+/t19-,22+/m1/s1 |
| InChIKey | SQGQTKZMNQBRTK-CNYDCXOLSA-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 | 446.411 g/mol |
| Sample ID | 35215 |
| Solvent | CD3OD |