| SpectraBase Compound ID | Ix7APBvjeLt |
|---|---|
| InChI | InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)29-22-21(27)20(26)19(25)17(16-23)28-22/h17,19-23,25-27H,2-16H2,1H3/t17-,19-,20+,21-,22+/m1/s1 |
| InChIKey | FPAQFGDNJSALCJ-VOFPXKNKSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C22H42O7 |
| Exact Mass | 418.293054 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTr1whbs3FD |
|---|---|
| Name | .beta.-D-Glucopyranose, 1-hexadecanoate |
| Alternate Name(s) | 1-O-palmitoyl-.beta.-D-glucopyranose Hexadecanoic acid[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]ester palmitic acid[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]ester [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexadecanoate [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexadecanoate [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]hexadecanoate Hexadecanoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexadecanoate [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hexadecanoate [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hexadecanoate |
| CAS Registry Number | 39848-71-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H42O7 |
| InChI | InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)29-22-21(27)20(26)19(25)17(16-23)28-22/h17,19-23,25-27H,2-16H2,1H3/t17-,19-,20+,21-,22+/m1/s1 |
| InChIKey | FPAQFGDNJSALCJ-VOFPXKNKSA-N |
| Molecular Weight | 418.571 g/mol |
| SMILES | O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(OC(=O)CCCCCCCCCCCCCCC)[H])[H])(O)[H])[H] |
| SPLASH | splash10-014i-0190000000-ff1f264fc8025f907616 |
| Source of Spectrum | W5-34369-31167-31167 |
| Wiley ID | 1377180 |