| SpectraBase Compound ID | 1uI7Zdha2jL |
|---|---|
| InChI | InChI=1S/C24H28O13/c25-9-24-16-11(17(29)21(24)37-24)5-6-33-22(16)36-23-20(32)19(31)18(30)14(35-23)8-34-15(28)4-2-10-1-3-12(26)13(27)7-10/h1-7,11,14,16-23,25-27,29-32H,8-9H2/b4-2+/t11-,14+,16-,17+,18+,19-,20+,21+,22+,23-,24-/m1/s1 |
| InChIKey | KNJZBAUYPCGTFR-OLWVPRFSSA-N |
| Mol Weight | 524.48 g/mol |
| Molecular Formula | C24H28O13 |
| Exact Mass | 524.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GmYEubCSZd |
|---|---|
| Name | 6'-O-CAFFEOYLCATAPOL |
| Compound Number | 7E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H28O13 |
| InChI | InChI=1S/C24H28O13/c25-9-24-16-11(17(29)21(24)37-24)5-6-33-22(16)36-23-20(32)19(31)18(30)14(35-23)8-34-15(28)4-2-10-1-3-12(26)13(27)7-10/h1-7,11,14,16-23,25-27,29-32H,8-9H2/b4-2+/t11-,14+,16-,17+,18+,19-,20+,21+,22+,23-,24-/m1/s1 |
| InChIKey | KNJZBAUYPCGTFR-OLWVPRFSSA-N |
| Literature Reference Author | R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN |
| Literature Reference Citation | J.NAT.PROD.,74,1477(2011) |
| Literature Reference DOI | 10.1021/np200233p |
| Molecular Weight | 524.479 g/mol |
| Sample ID | 38490 |
| Solvent | CD3OD |