| SpectraBase Compound ID | bxJuL7wWEv |
|---|---|
| InChI | InChI=1S/C15H22O5/c1-8(2)6-11(17)12-10(7-16)9-4-5-15(3,19)14(18)13(9)20-12/h7-9,13-14,18-19H,4-6H2,1-3H3/t9-,13+,14-,15+/m0/s1 |
| InChIKey | PJOMFJVGPWAFIC-FESTWEEDSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C15H22O5 |
| Exact Mass | 282.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ax5BV2i1nO0 |
|---|---|
| Name | (3aS,6R,7S,7aR)-6,7-dihydroxy-2-isovaleryl-6-methyl-4,5,7,7a-tetrahydro-3aH-benzofuran-3-carbaldehyde |
| Alternate Name(s) | (3aS,6R,7S,7aR)-6,7-dihydroxy-6-methyl-2-(3-methyl-1-oxobutyl)-4,5,7,7a-tetrahydro-3aH-benzofuran-3-carboxaldehyde (3aS,6R,7S,7aR)-6,7-dihydroxy-6-methyl-2-(3-methylbutanoyl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-3-carbaldehyde (3aS,6R,7S,7aR)-6,7-dihydroxy-6-methyl-2-(3-methylbutanoyl)-4,5,7,7a-tetrahydro-3aH-benzofuran-3-carbaldehyde (3aS,6R,7S,7aR)-6-methyl-2-(3-methylbutanoyl)-6,7-bis(oxidanyl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-3-carbaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O5 |
| InChI | InChI=1S/C15H22O5/c1-8(2)6-11(17)12-10(7-16)9-4-5-15(3,19)14(18)13(9)20-12/h7-9,13-14,18-19H,4-6H2,1-3H3/t9-,13+,14-,15+/m0/s1 |
| InChIKey | PJOMFJVGPWAFIC-FESTWEEDSA-N |
| Molecular Weight | 282.336 g/mol |
| SMILES | O[C@@]1([C@@](CC[C@]2(C(=C(O[C@@]12[H])C(CC(C)C)=O)C=O)[H])(O)C)[H] |
| SPLASH | splash10-0f7x-6690000000-3bf257b3976275b68bbc |
| Source of Spectrum | F-50-12654-6 |
| Wiley ID | 789972 |