| SpectraBase Compound ID | 3HDVdQsyHkD |
|---|---|
| InChI | InChI=1S/C29H36O7/c1-17-19-14-22(35-23(30)11-10-18-8-5-4-6-9-18)25-27(2,12-7-13-28(25,3)26(32)33)21(19)16-29(34)20(17)15-24(31)36-29/h4-6,8-9,15,17,19,21-22,25,34H,7,10-14,16H2,1-3H3,(H,32,33)/t17-,19+,21+,22-,25-,27-,28-,29-/m1/s1 |
| InChIKey | SZMOXBAGSGXJNR-UXLXRNNFSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C29H36O7 |
| Exact Mass | 496.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jwnwf9wUs60 |
|---|---|
| Name | 6-BETA-O-2',3'-DIHYDROCINNAMOYL-12-HYDROXY-(13)15-EN-16,12-OLIDE-18-CASSANEOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O7 |
| InChI | InChI=1S/C29H36O7/c1-17-19-14-22(35-23(30)11-10-18-8-5-4-6-9-18)25-27(2,12-7-13-28(25,3)26(32)33)21(19)16-29(34)20(17)15-24(31)36-29/h4-6,8-9,15,17,19,21-22,25,34H,7,10-14,16H2,1-3H3,(H,32,33)/t17-,19+,21+,22-,25-,27-,28-,29-/m1/s1 |
| InChIKey | SZMOXBAGSGXJNR-UXLXRNNFSA-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 | 496.601 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWDB1053 |