| SpectraBase Compound ID | 5qvsvrDQiAx |
|---|---|
| InChI | InChI=1S/C25H28O13/c26-8-17-20(30)21(31)22(32)25(37-17)38-24-19-12(3-4-13(19)14(10-36-24)23(33)34)9-35-18(29)6-2-11-1-5-15(27)16(28)7-11/h1-3,5-7,10,13,17,19-22,24-28,30-32H,4,8-9H2,(H,33,34)/b6-2+/t13-,17+,19-,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | RMHFGHOPVQFOIT-MUCXKJPNSA-N |
| Mol Weight | 536.49 g/mol |
| Molecular Formula | C25H28O13 |
| Exact Mass | 536.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B7w7glLXBH0 |
|---|---|
| Name | 10-O-(E)-CAFFEOYL-GENIPOSIDIC-ACID |
| Compound Number | 189 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O13 |
| InChI | InChI=1S/C25H28O13/c26-8-17-20(30)21(31)22(32)25(37-17)38-24-19-12(3-4-13(19)14(10-36-24)23(33)34)9-35-18(29)6-2-11-1-5-15(27)16(28)7-11/h1-3,5-7,10,13,17,19-22,24-28,30-32H,4,8-9H2,(H,33,34)/b6-2+/t13-,17+,19-,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | RMHFGHOPVQFOIT-MUCXKJPNSA-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 | 536.490 g/mol |
| Sample ID | 37985 |
| Solvent | CD3OD |