| SpectraBase Compound ID | DvEf1y0s2oO |
|---|---|
| InChI | InChI=1S/C25H30O13/c1-25(34)7-6-12-13(22(32)33)9-36-23(18(12)25)38-24-21(31)20(30)19(29)16(37-24)10-35-17(28)5-3-11-2-4-14(26)15(27)8-11/h2-5,8-9,12,16,18-21,23-24,26-27,29-31,34H,6-7,10H2,1H3,(H,32,33)/b5-3+/t12-,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1 |
| InChIKey | AEBORMNUOJEQOL-TXAWSMFASA-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 | HuPBdN53j2C |
|---|---|
| Name | 2'-O-CAFFEOYL-MUSSAENOSIDIC-ACID |
| Compound Number | 170 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O13 |
| InChI | InChI=1S/C25H30O13/c1-25(34)7-6-12-13(22(32)33)9-36-23(18(12)25)38-24-21(31)20(30)19(29)16(37-24)10-35-17(28)5-3-11-2-4-14(26)15(27)8-11/h2-5,8-9,12,16,18-21,23-24,26-27,29-31,34H,6-7,10H2,1H3,(H,32,33)/b5-3+/t12-,16+,18-,19+,20-,21+,23+,24-,25+/m1/s1 |
| InChIKey | AEBORMNUOJEQOL-TXAWSMFASA-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 | 538.505 g/mol |
| Sample ID | 37966 |
| Solvent | CD3OD |