| SpectraBase Compound ID | 69Sw2yStemq |
|---|---|
| InChI | InChI=1S/C24H28O13/c25-8-14-18(30)19(31)20(32)23(35-14)36-22-16-11(5-6-33-22)17(29)21-24(16,37-21)9-34-15(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 | KBOTWAVXBMSURT-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 | HwTpv16Hhp3 |
|---|---|
| Name | 10-O-TRANS-PARA-CAFFEOYL-CATALPOL |
| Compound Number | 90 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H28O13 |
| InChI | InChI=1S/C24H28O13/c25-8-14-18(30)19(31)20(32)23(35-14)36-22-16-11(5-6-33-22)17(29)21-24(16,37-21)9-34-15(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 | KBOTWAVXBMSURT-OLWVPRFSSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 524.479 g/mol |
| Sample ID | 37887 |
| Solvent | CD3OD |