| SpectraBase Compound ID | 8A1saynFQxu |
|---|---|
| InChI | InChI=1S/C25H30O14/c1-34-13-8-11(2-4-12(13)27)3-5-15(28)36-9-14-16(29)17(30)18(31)22(37-14)38-23-19-24(33,6-7-35-23)20(32)21-25(19,10-26)39-21/h2-8,14,16-23,26-27,29-33H,9-10H2,1H3/b5-3+/t14-,16-,17+,18-,19-,20+,21-,22+,23-,24-,25+/m0/s1 |
| InChIKey | RIYNJTOEQJKVRB-BGOJBXAVSA-N |
| Mol Weight | 554.5 g/mol |
| Molecular Formula | C25H30O14 |
| Exact Mass | 554.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdgWdAIpPry |
|---|---|
| Name | MYOBONTIOSIDE-B;MACFADIENOSIDE-6''-FERULIC-ACID-ESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O14 |
| InChI | InChI=1S/C25H30O14/c1-34-13-8-11(2-4-12(13)27)3-5-15(28)36-9-14-16(29)17(30)18(31)22(37-14)38-23-19-24(33,6-7-35-23)20(32)21-25(19,10-26)39-21/h2-8,14,16-23,26-27,29-33H,9-10H2,1H3/b5-3+/t14-,16-,17+,18-,19-,20+,21-,22+,23-,24-,25+/m0/s1 |
| InChIKey | RIYNJTOEQJKVRB-BGOJBXAVSA-N |
| Literature Reference Author | M.KANEMOTO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,C.ISHIGAKI,Y.TAKE DA |
| Literature Reference Citation | PHYTOCHEM.,69,2517(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.07.002 |
| Molecular Weight | 554.505 g/mol |
| Sample ID | 63108 |
| Solvent | CD3OD |