| SpectraBase Compound ID | Hm9PXgD6a47 |
|---|---|
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1 |
| InChIKey | UFCLZKMFXSILNL-ZSGFIFMUSA-N |
| Mol Weight | 516.46 g/mol |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.126776 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 | KvvfWbikceN |
|---|---|
| Name | 4,5-DI-O-CAFFEOYLQUINIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H24O12 |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1 |
| InChIKey | UFCLZKMFXSILNL-ZSGFIFMUSA-N |
| Literature Reference Author | L.C.LIN,Y.C.KUO,C.J.CHOU |
| Literature Reference Citation | J.NAT.PROD.,62,405(1999) |
| Literature Reference DOI | 10.1021/np980153o |
| Molecular Weight | 516.458 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8628 |