| SpectraBase Compound ID | HY5expME16H |
|---|---|
| InChI | InChI=1S/C41H78O12S/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/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/p-1/t34?,35-,38-,39+,40-,41+/m1/s1 |
| InChIKey | RVUUQPKXGDTQPG-PINKXYAGSA-M |
| Mol Weight | 794.1 g/mol |
| Molecular Formula | C41H77O12S |
| Exact Mass | 793.513574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GF1mcijnd2U |
|---|---|
| Name | 1,2-DI-O-PALMITOYL-3-O-(6-SULFO-ALPHA-QUINOVOPYRANOSYL)-GLYCEROL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H77O12S |
| InChI | InChI=1S/C41H78O12S/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/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/p-1/t34?,35-,38-,39+,40-,41+/m1/s1 |
| InChIKey | RVUUQPKXGDTQPG-PINKXYAGSA-M |
| Literature Reference Author | A.AMARQUAYE,C.-T.CHE,E.BEJAR,M.H.MALONE,H.H.S.FONG |
| Literature Reference Citation | PLANTA.MED.,60,85(1994) |
| Literature Reference DOI | 10.1055/s-2006-959415 |
| Molecular Weight | 794.115 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UIAP540 |