| SpectraBase Compound ID | 4dmQCJweNNh |
|---|---|
| InChI | InChI=1S/C18H28O6/c1-3-4-5-6-7-15(23-11(2)19)16-10-14(22)17-12(20)8-9-13(21)18(17)24-16/h13-16,21-22H,3-10H2,1-2H3/t13-,14-,15+,16+/m1/s1 |
| InChIKey | IQJNEUHAOSRWQP-WCVJEAGWSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C18H28O6 |
| Exact Mass | 340.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | xDbkieDzZq |
|---|---|
| Name | 2-(1-Acetoxyheptyl)-4,8-dihydroxyoctahydrobenzopyran-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O6 |
| InChI | InChI=1S/C18H28O6/c1-3-4-5-6-7-15(23-11(2)19)16-10-14(22)17-12(20)8-9-13(21)18(17)24-16/h13-16,21-22H,3-10H2,1-2H3/t13-,14-,15+,16+/m1/s1 |
| InChIKey | IQJNEUHAOSRWQP-WCVJEAGWSA-N |
| Molecular Weight | 340.416 g/mol |
| SMILES | O[C@]1(C2=C([C@@](CCC2=O)(O)[H])O[C@@](C1)([C@@](OC(=O)C)(CCCCCC)[H])[H])[H] |
| SPLASH | splash10-0296-6696000000-2cbfecdff75656b65140 |
| Source of Spectrum | SO-0-124-16 |
| Synonyms | Acetic acid (S)-1-((2S,4R,8R)-4,8-dihydroxy-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-2-yl)-heptyl ester Acetic acid [(1S)-1-[(2S,4R,8R)-4,8-dihydroxy-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-2-yl]heptyl] ester [(1S)-1-[(2S,4R,8R)-4,8-dihydroxy-5-oxo-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl] acetate [(1S)-1-[(2S,4R,8R)-4,8-bis(oxidanyl)-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl] ethanoate |
| Wiley ID | 864046 |