| SpectraBase Compound ID | JQ4BMeeJrgy |
|---|---|
| InChI | InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/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 | VJQXBJRSFHAPJG-PCXQGXQKSA-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 | 3JJBqAP5okU |
|---|---|
| Name | 3-O-(6'-DEOXY-6'-SULFO-ALPHA-D-GLUCOPYRANOSYL)-1-O-OLEOYL-2-O-PALMITOYLGLYCEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H80O12S |
| InChI | InChI=1S/C43H80O12S/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/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 | VJQXBJRSFHAPJG-PCXQGXQKSA-N |
| Literature Reference Author | D.J.BOURNE,S.E.PILCHOWSKI,P.T.MURPHY |
| Literature Reference Citation | AUSTR.J.CHEM.,52,69(1999) |
| Literature Reference DOI | 10.1071/C98113 |
| Molecular Weight | 821.161 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1455 |