| SpectraBase Compound ID | 5kCCtcW6DOF |
|---|---|
| InChI | InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(45)54-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)33-52-38(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51)/b18-17-/t36?,37-,40-,41+,42-,43+/m1/s1 |
| InChIKey | SQOJCPIJIDPYDD-FUWBPFHSSA-N |
| Mol Weight | 821.2 g/mol |
| Molecular Formula | C43H80O12S |
| Exact Mass | 820.537049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCNQ2mhV6sT |
|---|---|
| Name | 1-O-PALMITOYL-2-O-OLEOYL-3-O-(6'''-SULFO-ALPHA-D-QUINOVOPYRANOSYL)-GLYCEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H80O12S |
| InChI | InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(45)54-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)33-52-38(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51)/b18-17-/t36?,37-,40-,41+,42-,43+/m1/s1 |
| InChIKey | SQOJCPIJIDPYDD-FUWBPFHSSA-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 | 821.161 g/mol |
| Source File Reference | UWIR6220 |