| SpectraBase Compound ID | GDoSY0ihT3Z |
|---|---|
| InChI | InChI=1S/C22H22O12/c1-32-15-8-11(9-16(33-2)18(15)26)4-6-17(25)34-19(20(27)28)22(31,21(29)30)10-12-3-5-13(23)14(24)7-12/h3-9,19,23-24,26,31H,10H2,1-2H3,(H,27,28)(H,29,30)/b6-4+/t19-,22-/m1/s1 |
| InChIKey | OGOVVRHSMHRFIK-MYEWIJLCSA-N |
| Mol Weight | 478.41 g/mol |
| Molecular Formula | C22H22O12 |
| Exact Mass | 478.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Jbatxn7H05 |
|---|---|
| Name | CIMICIFUGIC_ACID_I |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O12 |
| InChI | InChI=1S/C22H22O12/c1-32-15-8-11(9-16(33-2)18(15)26)4-6-17(25)34-19(20(27)28)22(31,21(29)30)10-12-3-5-13(23)14(24)7-12/h3-9,19,23-24,26,31H,10H2,1-2H3,(H,27,28)(H,29,30)/b6-4+/t19-,22-/m1/s1 |
| InChIKey | OGOVVRHSMHRFIK-MYEWIJLCSA-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 | 478.409 g/mol |
| Sample ID | 35190 |
| Solvent | CD3OD |