![POLYGALACEREBROSIDE;1-O-BETA-D-GLUCOPYRANOSYL-(2-S,3-S,4-R,11-E)-2-[(2'-R)-2'-HYDROXYPALMITOYLAMINO]-11-OCTADECENE-1,3,4-TRIOL](/api/spectrum/BIgHS5Cp5xO/structure.png?h=300&w=458 "POLYGALACEREBROSIDE;1-O-BETA-D-GLUCOPYRANOSYL-(2-S,3-S,4-R,11-E)-2-[(2'-R)-2'-HYDROXYPALMITOYLAMINO]-11-OCTADECENE-1,3,4-TRIOL")
| SpectraBase Compound ID | 5lmLHUx8VrV |
|---|---|
| InChI | InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,31-38,40,42-48H,3-12,14,16-30H2,1-2H3,(H,41,49)/b15-13+/t31-,32+,33+,34-,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | CDRUYXCOLRASFI-CJCHHPELSA-N |
| Mol Weight | 732.1 g/mol |
| Molecular Formula | C40H77NO10 |
| Exact Mass | 731.554748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIgHS5Cp5xO |
|---|---|
| Name | POLYGALACEREBROSIDE;1-O-BETA-D-GLUCOPYRANOSYL-(2-S,3-S,4-R,11-E)-2-[(2'-R)-2'-HYDROXYPALMITOYLAMINO]-11-OCTADECENE-1,3,4-TRIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H77NO10 |
| InChI | InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,31-38,40,42-48H,3-12,14,16-30H2,1-2H3,(H,41,49)/b15-13+/t31-,32+,33+,34-,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | CDRUYXCOLRASFI-CJCHHPELSA-N |
| Literature Reference Author | W.D.ZHANG,T.Z.LI,R.H.LIU,G.J.YANG,H.S.CHEN |
| Literature Reference Citation | FITOTERAPIA,77,336(2006) |
| Literature Reference DOI | 10.1016/j.fitote.2006.03.018 |
| Molecular Weight | 732.052 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ46254 |