| SpectraBase Compound ID | 1Vst2oUzvxs |
|---|---|
| InChI | InChI=1S/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15-,20-,22+,23-,24-/m0/s1 |
| InChIKey | NLRUTPIOMCJQKC-RUXAHFJTSA-N |
| Mol Weight | 518.43 g/mol |
| Molecular Formula | C24H22O13 |
| Exact Mass | 518.106041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7GcRzUl3be |
|---|---|
| Name | BAICALEIN-7-O-BETA-(6''-O-MALONYL-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H22O13 |
| InChI | InChI=1S/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15-,20-,22+,23-,24-/m0/s1 |
| InChIKey | NLRUTPIOMCJQKC-RUXAHFJTSA-N |
| Literature Reference Author | Q.LIU,R.A.DIXON,T.J.MABRY |
| Literature Reference Citation | PHYTOCHEM.,34,167(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90800-8 |
| Molecular Weight | 518.431 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU7218 |