![(1aSR,3RS,3aRS,5SR,6aRS,6bRS)-5-Butyl-octahydro-6a-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-1(6)-eno[3,2-b]furan-3-ol](/api/spectrum/zedhkp41A/structure.png?h=300&w=458 "(1aSR,3RS,3aRS,5SR,6aRS,6bRS)-5-Butyl-octahydro-6a-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-1(6)-eno[3,2-b]furan-3-ol")
| SpectraBase Compound ID | 7BNSDicFehS |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-2-3-4-8-6-13(7-14)11(16-8)9(15)5-10-12(13)17-10/h8-12,14-15H,2-7H2,1H3/t8-,9+,10-,11-,12-,13+/m0/s1 |
| InChIKey | ABWYYVTVLLGQBF-XALSLBCYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | zedhkp41A |
|---|---|
| Name | (1aSR,3RS,3aRS,5SR,6aRS,6bRS)-5-Butyl-octahydro-6a-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-1(6)-eno[3,2-b]furan-3-ol |
| Alternate Name(s) | (1aS,3R,3aR,5S,6aR,6bR)-5-butyl-6a-(hydroxymethyl)octahydrooxireno[2,3-e]benzofuran-3-ol (1aS,3R,3aR,5S,6aR,6bR)-5-butyl-6a-(hydroxymethyl)-2,3,3a,5,6,6b-hexahydro-1aH-oxireno[2,3-e]benzofuran-3-ol (1aS,3R,3aR,5S,6aR,6bR)-5-butyl-6a-(hydroxymethyl)-2,3,3a,5,6,6b-hexahydro-1aH-oxireno[2,3-e][1]benzofuran-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-2-3-4-8-6-13(7-14)11(16-8)9(15)5-10-12(13)17-10/h8-12,14-15H,2-7H2,1H3/t8-,9+,10-,11-,12-,13+/m0/s1 |
| InChIKey | ABWYYVTVLLGQBF-XALSLBCYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | O[C@@]1(C[C@@]2(O[C@@]2([C@]2(CO)[C@]1(O[C@](C2)(CCCC)[H])[H])[H])[H])[H] |
| SPLASH | splash10-01ot-7690000000-e68f363dfd509c8967a3 |
| Source of Spectrum | F5-6-4429-3a |
| Wiley ID | 1733732 |