| SpectraBase Compound ID | 4h1xsSZIOr7 |
|---|---|
| InChI | InChI=1S/C19H22O6S.Na/c20-16-9-4-14(5-10-16)6-13-18(26(23,24)25)2-1-3-19(22)15-7-11-17(21)12-8-15;/h1,3-5,7-12,18-22H,2,6,13H2,(H,23,24,25);/q;+1/p-1/b3-1+;/t18-,19?;/m0./s1 |
| InChIKey | NSQBBQFSAFOCML-IPANSWIVSA-M |
| Mol Weight | 400.42 g/mol |
| Molecular Formula | C19H21NaO6S |
| Exact Mass | 400.095654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCyGgliyLuT |
|---|---|
| Name | SODIUM-(E)-7-HYDROXY-1,7-BIS-(4-HYDROXYPHENYL)-HEPT-5-ENE-(3S)-SULFONATE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H21NaO6S |
| InChI | InChI=1S/C19H22O6S.Na/c20-16-9-4-14(5-10-16)6-13-18(26(23,24)25)2-1-3-19(22)15-7-11-17(21)12-8-15;/h1,3-5,7-12,18-22H,2,6,13H2,(H,23,24,25);/q;+1/p-1/b3-1+;/t18-,19?;/m0./s1 |
| InChIKey | NSQBBQFSAFOCML-IPANSWIVSA-M |
| Literature Reference Author | H.LV,G.SHE |
| Literature Reference Citation | REC.NAT.PROD.,6,321(2012) |
| Molecular Weight | 400.422 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT15292 |