| SpectraBase Compound ID | HY5fttr8EXp |
|---|---|
| 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)/t34?,35-,38-,39+,40-,41+/m1/s1 |
| InChIKey | RVUUQPKXGDTQPG-PINKXYAGSA-N |
| Mol Weight | 795.1 g/mol |
| Molecular Formula | C41H78O12S |
| Exact Mass | 794.521399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pP6pDOXBQz |
|---|---|
| Name | 1,2-DI-O-PALMITOYL-3-O-(6'''-SULFO-ALPHA-D-QUINOVOPYRANOSYL)-GLYCEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H78O12S |
| 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)/t34?,35-,38-,39+,40-,41+/m1/s1 |
| InChIKey | RVUUQPKXGDTQPG-PINKXYAGSA-N |
| Literature Reference Author | Z.CANTILLO-CIAU,R.MOO-PUC,L.QUIJANO,Y.FREILE-PELEGRIN |
| Literature Reference Citation | MAR.DRUGS,8,1292(2010) |
| Literature Reference DOI | 10.3390/md8041292 |
| Molecular Weight | 795.123 g/mol |
| Source File Reference | UWIR6219 |