| SpectraBase Compound ID | 9zgTWS4GhnL |
|---|---|
| InChI | InChI=1S/C16H32O4/c1-8-13(20-16(19)10(4)5)11(6)15(18)12(7)14(17)9(2)3/h9-15,17-18H,8H2,1-7H3/t11-,12-,13-,14-,15+/m1/s1 |
| InChIKey | GWBSINVYUWUOQY-RYPNDVFKSA-N |
| Mol Weight | 288.4 g/mol |
| Molecular Formula | C16H32O4 |
| Exact Mass | 288.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 39G23nWxOhW |
|---|---|
| Name | (3RS,4SR,5RS,6RS,7RS)-5,7-Dihydroxy-4,6,8-trimethylnonan-3-yl isobutyrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H32O4 |
| InChI | InChI=1S/C16H32O4/c1-8-13(20-16(19)10(4)5)11(6)15(18)12(7)14(17)9(2)3/h9-15,17-18H,8H2,1-7H3/t11-,12-,13-,14-,15+/m1/s1 |
| InChIKey | GWBSINVYUWUOQY-RYPNDVFKSA-N |
| Molecular Weight | 288.428 g/mol |
| SMILES | O[C@]([C@@]([C@@](C(C)C)(O)[H])(C)[H])([C@@]([C@](OC(=O)C(C)C)(CC)[H])(C)[H])[H] |
| SPLASH | splash10-00di-9310000000-a873d57c15bf94539124 |
| Source of Spectrum | KC-0-2269-14 |
| Synonyms | 1-Ethyl-3,5-dihydroxy-2,4,6-trimethylheptyl 2-methylpropanoate Isobutyric acid (1R,2S,3R,4R,5R)-1-ethyl-3,5-dihydroxy-2,4,6-trimethyl-heptyl ester 2-Methylpropanoic acid [(3R,4S,5R,6R,7R)-5,7-dihydroxy-4,6,8-trimethylnonan-3-yl] ester [(3R,4S,5R,6R,7R)-5,7-dihydroxy-4,6,8-trimethylnonan-3-yl] 2-methylpropanoate [(1R,2S,3R,4R,5R)-1-ethyl-3,5-dihydroxy-2,4,6-trimethyl-heptyl] 2-methylpropanoate [(3R,4S,5R,6R,7R)-4,6,8-trimethyl-5,7-bis(oxidanyl)nonan-3-yl] 2-methylpropanoate |
| Wiley ID | 831291 |