| SpectraBase Compound ID | 6H4wcL8Y7L7 |
|---|---|
| InChI | InChI=1S/C41H74O12S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h15-18,34-35,38-41,44-46H,3-14,19-33H2,1-2H3,(H,47,48,49);/q;+1/p-1/b17-15-,18-16+;/t34?,35-,38-,39+,40-,41+;/m1./s1 |
| InChIKey | IFLYNTSZFADLTK-MUHJLQNHSA-M |
| Mol Weight | 813.1 g/mol |
| Molecular Formula | C41H73NaO12S |
| Exact Mass | 812.472043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5n28NzuikLT |
|---|---|
| Name | 1,2-DI-O-(8-HEXADECENOYL-3-O-(6-SULPHO-ALPHA-D-QUINOVOPYRANOSYL)-GLYCEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H73NaO12S |
| InChI | InChI=1S/C41H74O12S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h15-18,34-35,38-41,44-46H,3-14,19-33H2,1-2H3,(H,47,48,49);/q;+1/p-1/b17-15-,18-16+;/t34?,35-,38-,39+,40-,41+;/m1./s1 |
| InChIKey | IFLYNTSZFADLTK-MUHJLQNHSA-M |
| Literature Reference Author | L.RASTRELLI,N.DETOMMASI,I.BERGER,A.CACERES,A.SARAVIA,F.DESIM ONE |
| Literature Reference Citation | PHYTOCHEM.,45,647(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00842-4 |
| Molecular Weight | 813.073 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1504 |