| SpectraBase Compound ID | 7A0RjDOqLZO |
|---|---|
| InChI | InChI=1S/C21H22O12.2Na/c22-5-11-14(25)15(26)16(27)18(31-11)13-9(23)2-1-7-8-3-12(24)21(30)6-20(8,33-17(7)13)4-10(32-21)19(28)29;;/h1-3,10-11,14-16,18,22-23,25-27,30H,4-6H2,(H,28,29);;/q;2*+1/p-2/t10-,11-,14-,15+,16-,18+,20-,21-;;/m0../s1 |
| InChIKey | IQOLZRYYGSJNQU-RJBHZQCHSA-L |
| Mol Weight | 510.35853856 g/mol |
| Molecular Formula | C21H20Na2O12 |
| Exact Mass | 510.075015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FGtR7r6CX9l |
|---|---|
| Name | IQOLZRYYGSJNQU-RJBHZQCHSA-L |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H20Na2O12 |
| InChI | InChI=1S/C21H22O12.2Na/c22-5-11-14(25)15(26)16(27)18(31-11)13-9(23)2-1-7-8-3-12(24)21(30)6-20(8,33-17(7)13)4-10(32-21)19(28)29;;/h1-3,10-11,14-16,18,22-23,25-27,30H,4-6H2,(H,28,29);;/q;2*+1/p-2/t10-,11-,14-,15+,16-,18+,20-,21-;;/m0../s1 |
| InChIKey | IQOLZRYYGSJNQU-RJBHZQCHSA-L |
| Literature Reference Author | B.ACHARI,P.K.DUTTA,S.K.RAY,P.CHAKRABORTY,J.SENGUPTA,D.BANDYO PADHYAY,J.K.MAITY,I. |
| Literature Reference Citation | J.NAT.PROD.,75,655(2012) |
| Literature Reference DOI | 10.1021/np2008939 |
| Molecular Weight | 510.362 g/mol |
| Sample ID | 40265 |
| Solvent | D2O |