| SpectraBase Compound ID | A5EQKDRsoJx |
|---|---|
| InChI | InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1 |
| InChIKey | VRCBYTZZZFFKEN-RBZNUJCTSA-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 | 4aJnjw6zs4C |
|---|---|
| Name | BIOCHANIN-A-7-O-GLUCOPYRANOSIDE-6''-O-MALONYLESTER |
| Compound Number | 9 |
| 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)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1 |
| InChIKey | VRCBYTZZZFFKEN-RBZNUJCTSA-N |
| Literature Reference Author | H.H.PARK,T.HAKAMATSUKA,U.SANKAWA,Y.EBIZUKA |
| Literature Reference Citation | PHYTOCHEM.,38,373(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00640-F |
| Molecular Weight | 532.458 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS4729 |