| SpectraBase Compound ID | 4oyTooGRlUH |
|---|---|
| InChI | InChI=1S/C29H34O7/c1-16-18-9-12-35-23(18)15-20-19(16)14-24(26-28(20,2)10-4-11-29(26,3)27(33)34)36-25(32)8-6-17-5-7-21(30)22(31)13-17/h5-9,12-13,16,19-20,24,26,30-31H,4,10-11,14-15H2,1-3H3,(H,33,34)/b8-6+/t16-,19-,20-,24+,26+,28+,29+/m0/s1 |
| InChIKey | QZWUGXBVATVBAG-CFQLEROSSA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C29H34O7 |
| Exact Mass | 494.230453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6akanY8GTa9 |
|---|---|
| Name | 6-BETA-O-6',7'-DIHYDROXYCINNAMOYL-18-VOUACAPANEOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O7 |
| InChI | InChI=1S/C29H34O7/c1-16-18-9-12-35-23(18)15-20-19(16)14-24(26-28(20,2)10-4-11-29(26,3)27(33)34)36-25(32)8-6-17-5-7-21(30)22(31)13-17/h5-9,12-13,16,19-20,24,26,30-31H,4,10-11,14-15H2,1-3H3,(H,33,34)/b8-6+/t16-,19-,20-,24+,26+,28+,29+/m0/s1 |
| InChIKey | QZWUGXBVATVBAG-CFQLEROSSA-N |
| Literature Reference Author | B.B.COTA,D.M.DEOLIVEIRA,E.P.DESIQUEIRA,E.M.SOUZA-FAGUNDES,A. M.C.PIMENTA,D.M.SANT |
| Literature Reference Citation | FITOTERAPIA,82,969(2011) |
| Literature Reference DOI | 10.1016/j.fitote.2011.05.014 |
| Molecular Weight | 494.585 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWDB1055 |