| SpectraBase Compound ID | LTavVZwSu9j |
|---|---|
| InChI | InChI=1S/C21H34O7/c1-8-13(9-2)10-12(3)18(22)24-16-15(14-11-23-20(4,5)26-14)25-19-17(16)27-21(6,7)28-19/h10,13-17,19H,8-9,11H2,1-7H3/b12-10+/t14-,15-,16+,17-,19-/m1/s1 |
| InChIKey | BVEBMRGWPZWMKI-XQTQRCFESA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C21H34O7 |
| Exact Mass | 398.230453 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | gtUlWT0Asz |
|---|---|
| Name | (1,2:5,6-Di-O-Isopropyliden-.alpha.,D-glucofuranose-3-O-yl) 4-ethyl,2-methyl 2-hexenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O7 |
| InChI | InChI=1S/C21H34O7/c1-8-13(9-2)10-12(3)18(22)24-16-15(14-11-23-20(4,5)26-14)25-19-17(16)27-21(6,7)28-19/h10,13-17,19H,8-9,11H2,1-7H3/b12-10+/t14-,15-,16+,17-,19-/m1/s1 |
| InChIKey | BVEBMRGWPZWMKI-XQTQRCFESA-N |
| Molecular Weight | 398.496 g/mol |
| SMILES | [C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@@]1(OC(O2)(C)C)[H])[H])(OC(\C(=C\C(CC)CC)C)=O)[H])[H] |
| SPLASH | splash10-0ufr-0902000000-71be7162163c48ecb277 |
| Source of Spectrum | QC-3-764-1 |
| Synonyms | (E)-4-ethyl-2-methyl-2-hexenoic acid [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (E)-4-ethyl-2-methylhex-2-enoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (E)-4-ethyl-2-methyl-hex-2-enoate |
| Wiley ID | 883070 |