| SpectraBase Compound ID | LO55RHBqEKx |
|---|---|
| InChI | InChI=1S/C22H22O9/c1-9(23)31-22-17-15(29-17)14(30-19(22)26)16-20(2,7-12(24)10-4-5-27-8-10)11-6-13(21(16,22)3)28-18(11)25/h4-5,8,11,13-17H,6-7H2,1-3H3/t11-,13-,14-,15-,16-,17-,20+,21+,22+/m0/s1 |
| InChIKey | UPQKOUQHSNCEKI-ZWZPCKEISA-N |
| Mol Weight | 430.41 g/mol |
| Molecular Formula | C22H22O9 |
| Exact Mass | 430.126382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tBt3Tsi1Zj |
|---|---|
| Name | SPICIFLORIN-ACETATE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O9 |
| InChI | InChI=1S/C22H22O9/c1-9(23)31-22-17-15(29-17)14(30-19(22)26)16-20(2,7-12(24)10-4-5-27-8-10)11-6-13(21(16,22)3)28-18(11)25/h4-5,8,11,13-17H,6-7H2,1-3H3/t11-,13-,14-,15-,16-,17-,20+,21+,22+/m0/s1 |
| InChIKey | UPQKOUQHSNCEKI-ZWZPCKEISA-N |
| Literature Reference Author | W.NAENGCHOMNONG,P.M.PINHO,A.KIJJOA,P.SAWANGWONG,M.J.GONZALEZ ,A.M.S.SILVA,G.EATON |
| Literature Reference Citation | PHYTOCHEM.,67,1029(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.03.024 |
| Molecular Weight | 430.411 g/mol |
| Sample ID | 66259 |
| Solvent | CDCl3 |