| SpectraBase Compound ID | E1nf2BbePLL |
|---|---|
| InChI | InChI=1S/C25H30O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-6,10,14,16,18-21,23-24,26-27,29-31,34H,7-9,11H2,(H,32,33)/b6-3-/t14-,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1 |
| InChIKey | DQMJTGHIDOKZGT-GWKDYYKPSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C25H30O13 |
| Exact Mass | 538.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63lmmsE0rwk |
|---|---|
| Name | 10-PARA-CIS-COUMAROYL-1-S-DIHYDROMONOTROPEIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O13 |
| InChI | InChI=1S/C25H30O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-6,10,14,16,18-21,23-24,26-27,29-31,34H,7-9,11H2,(H,32,33)/b6-3-/t14-,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1 |
| InChIKey | DQMJTGHIDOKZGT-GWKDYYKPSA-N |
| Literature Reference Author | A.TURNER,S.N.CHEN,D.NIKOLIC,R.VANBREEMEN,N.R.FARNSWORTH,G.F. PAULI |
| Literature Reference Citation | J.NAT.PROD.,70,253(2007) |
| Literature Reference DOI | 10.1021/np060260f |
| Molecular Weight | 538.505 g/mol |
| Sample ID | 29647 |
| Solvent | D2O |