![(1aSR,3RS,3aRS,5RS,6aRS,6bRS)-5-(t-Butyl)-octahydro-6a-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-1(6)-eno[3,2-b]furan-3-ol](/api/spectrum/L2BhZET1SI4/structure.png?h=300&w=458 "(1aSR,3RS,3aRS,5RS,6aRS,6bRS)-5-(t-Butyl)-octahydro-6a-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-1(6)-eno[3,2-b]furan-3-ol")
| SpectraBase Compound ID | Hf8B82za10C |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-12(2,3)9-5-13(6-14)10(17-9)7(15)4-8-11(13)16-8/h7-11,14-15H,4-6H2,1-3H3/t7-,8+,9-,10+,11+,13-/m1/s1 |
| InChIKey | OVPQGKQSLCKYND-IQJMUQLDSA-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 | L2BhZET1SI4 |
|---|---|
| Name | (1aSR,3RS,3aRS,5RS,6aRS,6bRS)-5-(t-Butyl)-octahydro-6a-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-1(6)-eno[3,2-b]furan-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-12(2,3)9-5-13(6-14)10(17-9)7(15)4-8-11(13)16-8/h7-11,14-15H,4-6H2,1-3H3/t7-,8+,9-,10+,11+,13-/m1/s1 |
| InChIKey | OVPQGKQSLCKYND-IQJMUQLDSA-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)(C(C)(C)C)[H])[H])[H])[H])[H] |
| SPLASH | splash10-000j-1900000000-23fc8b0044997ac850ea |
| Source of Spectrum | F5-6-4429-3b |
| Synonyms | (1aS,3R,3aR,5R,6aR,6bR)-5-(tert-butyl)-6a-(hydroxymethyl)octahydrooxireno[2,3-e]benzofuran-3-ol (1aS,3R,3aR,5R,6aR,6bR)-5-tert-butyl-6a-(hydroxymethyl)-2,3,3a,5,6,6b-hexahydro-1aH-oxireno[2,3-e]benzofuran-3-ol (1aS,3R,3aR,5R,6aR,6bR)-5-tert-butyl-6a-(hydroxymethyl)-2,3,3a,5,6,6b-hexahydro-1aH-oxireno[2,3-e][1]benzofuran-3-ol |
| Wiley ID | 1733731 |