| SpectraBase Compound ID | 9i7w74GMVFT |
|---|---|
| InChI | InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)16-8-15(27)21-14(26)6-13(7-17(21)37-16)36-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1 |
| InChIKey | IJNCCCFFKAXJKJ-GOZZSVHWSA-N |
| Mol Weight | 532.45 g/mol |
| Molecular Formula | C25H24O13 |
| Exact Mass | 532.121691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kwc6to4umfc |
|---|---|
| Name | ACACETIN-7-O-BETA-(6''-O-MALONYLGLUCOPYRANOSIDE) |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H24O13 |
| InChI | InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)16-8-15(27)21-14(26)6-13(7-17(21)37-16)36-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1 |
| InChIKey | IJNCCCFFKAXJKJ-GOZZSVHWSA-N |
| Literature Reference Author | K.E.SCHWINN,K.R.MARKHAM,N.K.GIVEN |
| Literature Reference Citation | PHYTOCHEM.,35,145(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90523-5 |
| Molecular Weight | 532.458 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU24104 |