![(2S,3R,8E)-1-([BETA]-D-GLUCOPYRANOSYL-3-HYDROXY-2-[(R)-2'-HYDROXYPALMITOYL]AMINO-8-OCTADECAENE](/api/spectrum/9goqAxOiCa3/structure.png?h=300&w=458 "(2S,3R,8E)-1-([BETA]-D-GLUCOPYRANOSYL-3-HYDROXY-2-[(R)-2'-HYDROXYPALMITOYL]AMINO-8-OCTADECAENE")
| SpectraBase Compound ID | 43gTZ7Yla7H |
|---|---|
| InChI | InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19+/t32-,33+,34+,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | NJXYDZDDOCQODQ-KKDDFSRVSA-N |
| Mol Weight | 716.1 g/mol |
| Molecular Formula | C40H77NO9 |
| Exact Mass | 715.559833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9goqAxOiCa3 |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,8E)-2-[(2'R)-2-HYDROXYLPALMITOYLAMINO]-8-OCTADECENE-1,3-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H77NO9 |
| InChI | InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19+/t32-,33+,34+,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | NJXYDZDDOCQODQ-KKDDFSRVSA-N |
| Literature Reference Author | T.LING,T.XIA,X.WAN,D.LI,X.WEI |
| Literature Reference Citation | MOLECULES,11,677(2006) |
| Literature Reference DOI | 10.3390/11090677 |
| Molecular Weight | 716.053 g/mol |
| Sample ID | 38602 |
| Solvent | C5D5N |