| SpectraBase Compound ID | I08HJTVPO9S |
|---|---|
| InChI | InChI=1S/C25H26O13/c1-35-16-8-13(9-17(36-2)21(16)29)23(31)38-19-11-25(34,24(32)33)10-18(22(19)30)37-20(28)6-4-12-3-5-14(26)15(27)7-12/h3-9,18-19,22,26-27,29-30,34H,10-11H2,1-2H3,(H,32,33)/b6-4+/t18-,19-,22+,25-/m1/s1 |
| InChIKey | KHQDMHPGCZVWFX-CMUYJVOSSA-N |
| Mol Weight | 534.47 g/mol |
| Molecular Formula | C25H26O13 |
| Exact Mass | 534.137341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jQYmDGycX2 |
|---|---|
| Name | 5-O-CAFFEOYL-3-O-SYRINGOYLQUINIC_ACID |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H26O13 |
| InChI | InChI=1S/C25H26O13/c1-35-16-8-13(9-17(36-2)21(16)29)23(31)38-19-11-25(34,24(32)33)10-18(22(19)30)37-20(28)6-4-12-3-5-14(26)15(27)7-12/h3-9,18-19,22,26-27,29-30,34H,10-11H2,1-2H3,(H,32,33)/b6-4+/t18-,19-,22+,25-/m1/s1 |
| InChIKey | KHQDMHPGCZVWFX-CMUYJVOSSA-N |
| Literature Reference Author | S.SONG,Y.LI,Z.FENG,J.JIANG,P.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,73,177(2010) |
| Literature Reference DOI | 10.1021/np900593q |
| Molecular Weight | 534.474 g/mol |
| Sample ID | 34442 |
| Solvent | DMSO-D6 |