| SpectraBase Compound ID | A8lCsYeg1nv |
|---|---|
| InChI | InChI=1S/C22H32O8/c1-5-6-7-8-9-17(27-13(2)23)19-12-20(29-15(4)25)21-16(26)10-11-18(22(21)30-19)28-14(3)24/h17-20H,5-12H2,1-4H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey | DVYVBZOIEXCJRU-LWYYNNOASA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C22H32O8 |
| Exact Mass | 424.209718 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2G656uKnSHo |
|---|---|
| Name | 2-(1-Acetoxyheptyl)-4,8-diacetoxyoctahydrobenzopyran-5-one isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O8 |
| InChI | InChI=1S/C22H32O8/c1-5-6-7-8-9-17(27-13(2)23)19-12-20(29-15(4)25)21-16(26)10-11-18(22(21)30-19)28-14(3)24/h17-20H,5-12H2,1-4H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey | DVYVBZOIEXCJRU-LWYYNNOASA-N |
| Molecular Weight | 424.490 g/mol |
| SMILES | C12=C([C@](OC(=O)C)(C[C@](O2)([C@@](OC(=O)C)(CCCCCC)[H])[H])[H])C(=O)CC[C@@]1(OC(=O)C)[H] |
| SPLASH | splash10-0abg-4494000000-47ca25c51c6cdf83cdd5 |
| Source of Spectrum | SO-0-125-20 |
| Synonyms | Acetic acid (2S,4R,8S)-8-acetoxy-2-((S)-1-acetoxy-heptyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-4-yl ester Acetic acid [(2S,4R,8S)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-8-yl] ester [(2S,4R,8S)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl] acetate [(2S,4R,8S)-4-acetoxy-2-[(1S)-1-acetoxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl] acetate [(2S,4R,8S)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-8-yl] ethanoate |
| Wiley ID | 864042 |