| SpectraBase Compound ID | L4Di3sxPSN4 |
|---|---|
| InChI | InChI=1S/C26H32O13/c1-3-16-24(39-25-22(32)21(31)20(30)18(12-27)38-25)37-13-17(23(33)35-2)26(16,34)10-11-36-19(29)9-6-14-4-7-15(28)8-5-14/h3-9,13,16,18,20-22,24-25,27-28,30-32,34H,1,10-12H2,2H3/b9-6+/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1 |
| InChIKey | CPZZMTCJZHUSTB-XMLBKGMQSA-N |
| Mol Weight | 552.5 g/mol |
| Molecular Formula | C26H32O13 |
| Exact Mass | 552.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90KOusLTGhi |
|---|---|
| Name | 7-E-(PARA-COUMAROYL)-5-HYDROXY-SECOLOGANOL |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32O13 |
| InChI | InChI=1S/C26H32O13/c1-3-16-24(39-25-22(32)21(31)20(30)18(12-27)38-25)37-13-17(23(33)35-2)26(16,34)10-11-36-19(29)9-6-14-4-7-15(28)8-5-14/h3-9,13,16,18,20-22,24-25,27-28,30-32,34H,1,10-12H2,2H3/b9-6+/t16-,18-,20-,21+,22-,24-,25+,26+/m0/s1 |
| InChIKey | CPZZMTCJZHUSTB-XMLBKGMQSA-N |
| Literature Reference Author | S.DAMTOFT,H.FRANZYK,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,38,615(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00683-K |
| Molecular Weight | 552.532 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS4861 |