![5-O-[(5''-O-VANILLOYL)-BETA-APIOFURANOSYL-(1->2)-BETA-XYLOPYRANOSYL]-GENTISIC-ACID](/api/spectrum/2k8uu0ChMaw/structure.png?h=300&w=458 "5-O-[(5''-O-VANILLOYL)-BETA-APIOFURANOSYL-(1->2)-BETA-XYLOPYRANOSYL]-GENTISIC-ACID")
| SpectraBase Compound ID | 2lRfeSd6li1 |
|---|---|
| InChI | InChI=1S/C25H28O15/c1-35-17-6-11(2-4-15(17)27)22(33)37-9-25(34)10-38-24(20(25)30)40-19-18(29)16(28)8-36-23(19)39-12-3-5-14(26)13(7-12)21(31)32/h2-7,16,18-20,23-24,26-30,34H,8-10H2,1H3,(H,31,32)/t16-,18+,19-,20+,23+,24+,25-/m1/s1 |
| InChIKey | AARWFJMSRMBDND-SRPZPADZSA-N |
| Mol Weight | 568.48 g/mol |
| Molecular Formula | C25H28O15 |
| Exact Mass | 568.14282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2k8uu0ChMaw |
|---|---|
| Name | 5-O-[(5''-O-VANILLOYL)-BETA-APIOFURANOSYL-(1->2)-BETA-XYLOPYRANOSYL]-GENTISIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O15 |
| InChI | InChI=1S/C25H28O15/c1-35-17-6-11(2-4-15(17)27)22(33)37-9-25(34)10-38-24(20(25)30)40-19-18(29)16(28)8-36-23(19)39-12-3-5-14(26)13(7-12)21(31)32/h2-7,16,18-20,23-24,26-30,34H,8-10H2,1H3,(H,31,32)/t16-,18+,19-,20+,23+,24+,25-/m1/s1 |
| InChIKey | AARWFJMSRMBDND-SRPZPADZSA-N |
| Literature Reference Author | A.STOCHMAL,I.KOWALSKA,B.JANDA,A.PERRONE,S.PIACENTE,W.OLESZEK |
| Literature Reference Citation | PHYTOCHEM.,70,1272(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.07.021 |
| Molecular Weight | 568.488 g/mol |
| Sample ID | 45583 |
| Solvent | CD3OD |