| SpectraBase Compound ID | C3CuVblqvLv |
|---|---|
| InChI | InChI=1S/C19H22O9S.Na/c1-9-4-5-13-11(3)19(22)28-17(13)16-12(6-14(20)15(9)16)8-26-18(21)10(2)7-27-29(23,24)25;/h6,10,13,16-17H,3-5,7-8H2,1-2H3,(H,23,24,25);/q;+1/p-1/t10-,13-,16?,17-;/m0./s1 |
| InChIKey | LPFDFQCPHZKWCK-DEQFLXIISA-M |
| Mol Weight | 448.42 g/mol |
| Molecular Formula | C19H21NaO9S |
| Exact Mass | 448.080398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9cMV3U0xm8 |
|---|---|
| Name | 8-DEOXY-15-(3'-HYDROXY-2'-METHYL-PROPANOYL)-LACTUCIN-3'-SULFATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H21NaO9S |
| InChI | InChI=1S/C19H22O9S.Na/c1-9-4-5-13-11(3)19(22)28-17(13)16-12(6-14(20)15(9)16)8-26-18(21)10(2)7-27-29(23,24)25;/h6,10,13,16-17H,3-5,7-8H2,1-2H3,(H,23,24,25);/q;+1/p-1/t10-,13-,16?,17-;/m0./s1 |
| InChIKey | LPFDFQCPHZKWCK-DEQFLXIISA-M |
| Literature Reference Author | F.BITAM,M.L.CIAVATTA,E.MANZO,A.DIBI,M.GAVAGNIN |
| Literature Reference Citation | PHYTOCHEM.,69,2984(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.09.025 |
| Molecular Weight | 448.420 g/mol |
| Sample ID | 63818 |
| Solvent | CDCl3 |