| SpectraBase Compound ID | CXq2Xl6vLHI |
|---|---|
| InChI | InChI=1S/C20H30O7/c1-4-5-6-7-8-16(25-12(2)21)17-11-18(26-13(3)22)19-14(23)9-10-15(24)20(19)27-17/h15-18,24H,4-11H2,1-3H3/t15-,16+,17+,18-/m1/s1 |
| InChIKey | POXAISUELDLKHG-VSZNYVQBSA-N |
| Mol Weight | 382.45 g/mol |
| Molecular Formula | C20H30O7 |
| Exact Mass | 382.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GiC14zRlJKr |
|---|---|
| Name | (2S,4R,8R)-2-(1(S)-Acetoxyheptyl)-4-acetoxy-8-hydroxyoctahydrobenzopyran-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O7 |
| InChI | InChI=1S/C20H30O7/c1-4-5-6-7-8-16(25-12(2)21)17-11-18(26-13(3)22)19-14(23)9-10-15(24)20(19)27-17/h15-18,24H,4-11H2,1-3H3/t15-,16+,17+,18-/m1/s1 |
| InChIKey | POXAISUELDLKHG-VSZNYVQBSA-N |
| Molecular Weight | 382.453 g/mol |
| SMILES | O[C@]1(C2=C([C@@](C[C@]([C@@](OC(=O)C)(CCCCCC)[H])([H])O2)(OC(=O)C)[H])C(CC1)=O)[H] |
| SPLASH | splash10-0006-9751000000-2a0bae01b9b229d7cf43 |
| Source of Spectrum | SO-0-124-17 |
| Synonyms | (2S,4R,8R)-2-(1(S)-Acetoxyheptyl)-4-acetoxy-8-hydroxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one (2S,4R,8R)-2-[(1S)-1-(acetyloxy)heptyl]-8-hydroxy-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-4-yl acetate 2-(1-Acetoxyheptyl)-4-acetoxy-8-hydroxy-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Acetoxyheptyl)-4-acetoxy-8-hydroxyoctahydrobenzopyran-5-one Acetic acid [(2S,4R,8R)-2-[(1S)-1-acetyloxyheptyl]-8-hydroxy-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-4-yl] ester [(2S,4R,8R)-2-[(1S)-1-acetyloxyheptyl]-8-hydroxy-5-oxo-2,3,4,6,7,8-hexahydrochromen-4-yl] acetate [(2S,4R,8R)-2-[(1S)-1-acetoxyheptyl]-8-hydroxy-5-oxo-2,3,4,6,7,8-hexahydrochromen-4-yl] acetate [(2S,4R,8R)-2-[(1S)-1-acetyloxyheptyl]-8-oxidanyl-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-4-yl] ethanoate |
| Wiley ID | 864045 |