| SpectraBase Compound ID | HPXHhocwfED |
|---|---|
| InChI | InChI=1S/C29H30O13/c1-15(2)27(37)42-29(28(38)39)13-22(40-24(34)9-5-16-3-7-18(30)20(32)11-16)26(36)23(14-29)41-25(35)10-6-17-4-8-19(31)21(33)12-17/h3-12,15,22-23,26,30-33,36H,13-14H2,1-2H3,(H,38,39)/b9-5+,10-6+/t22-,23-,26-,29+/m0/s1 |
| InChIKey | XNFNPKMIOPRXMH-OWMOWRQHSA-N |
| Mol Weight | 586.55 g/mol |
| Molecular Formula | C29H30O13 |
| Exact Mass | 586.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HAxok5Tnp2H |
|---|---|
| Name | 1-ISOBUTYRYL-3,5-DICAFFEOYLQUINIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H30O13 |
| InChI | InChI=1S/C29H30O13/c1-15(2)27(37)42-29(28(38)39)13-22(40-24(34)9-5-16-3-7-18(30)20(32)11-16)26(36)23(14-29)41-25(35)10-6-17-4-8-19(31)21(33)12-17/h3-12,15,22-23,26,30-33,36H,13-14H2,1-2H3,(H,38,39)/b9-5+,10-6+/t22-,23-,26-,29+/m0/s1 |
| InChIKey | XNFNPKMIOPRXMH-OWMOWRQHSA-N |
| Literature Reference Author | J.HEILMANN,E.MUELLER,I.MERFORT |
| Literature Reference Citation | PHYTOCHEM.,51,713(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00082-5 |
| Molecular Weight | 586.549 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWUC4461 |