| SpectraBase Compound ID | 4BwPlkhX2Ct |
|---|---|
| InChI | InChI=1S/C19H24O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h9,11,13-16,20,24H,1,3,5-7H2,2,4H3/t9-,11+,13+,14+,15-,16-,19?/m1/s1 |
| InChIKey | KGLKREPWOFMLMA-NHWYFYGTSA-N |
| Mol Weight | 364.39 g/mol |
| Molecular Formula | C19H24O7 |
| Exact Mass | 364.152203 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Go8CddHo18p |
|---|---|
| Name | Grosshemin - .alpha.,.beta.-dihydroxy-isobutyrate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H24O7 |
| InChI | InChI=1S/C19H24O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h9,11,13-16,20,24H,1,3,5-7H2,2,4H3/t9-,11+,13+,14+,15-,16-,19?/m1/s1 |
| InChIKey | KGLKREPWOFMLMA-NHWYFYGTSA-N |
| Molecular Weight | 364.394 g/mol |
| SMILES | OC(CO)(C(O[C@@]1([C@@]2([C@@]([C@@]3([C@](C(=C)C1)(CC([C@]3(C)[H])=O)[H])[H])(OC(=O)C2=C)[H])[H])[H])=O)C |
| SPLASH | splash10-002f-9020000000-6317034e1d86fc061e25 |
| Source of Spectrum | X2-53-578-3 |
| Wiley ID | 1603530 |