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(2S,4R)-2-(1(S)-Acetoxyheptyl)-4-(acetoxy)octahydrobenzopyran-5-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,4R)-2-(1(S)-Acetoxyheptyl)-4-(acetoxy)octahydrobenzopyran-5-one
SpectraBase Compound ID CCdJ5VYSZrk
InChI InChI=1S/C20H30O6/c1-4-5-6-7-10-16(24-13(2)21)18-12-19(25-14(3)22)20-15(23)9-8-11-17(20)26-18/h16,18-19H,4-12H2,1-3H3/t16-,18-,19+/m0/s1
InChIKey RSWBEXZGBXZZFT-YTQUADARSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHXgAQhefXX
Name (2S,4R)-2-(1(S)-Acetoxyheptyl)-4-(acetoxy)octahydrobenzopyran-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-4-5-6-7-10-16(24-13(2)21)18-12-19(25-14(3)22)20-15(23)9-8-11-17(20)26-18/h16,18-19H,4-12H2,1-3H3/t16-,18-,19+/m0/s1
InChIKey RSWBEXZGBXZZFT-YTQUADARSA-N
Molecular Weight 366.454 g/mol
SMILES C12=C(O[C@@](C[C@]2(OC(=O)C)[H])([C@@](OC(=O)C)(CCCCCC)[H])[H])CCCC1=O
SPLASH splash10-01p2-0940000000-60483cc9df9d750654c3
Source of Spectrum SO-0-124-14
Synonyms (2S,4R)-2-(1(S)-Acetoxyheptyl)-4-(acetoxy)-2,3,4,6,7,8-hexahydro-benzopyran-5-one (2S,4R)-2-[(1S)-1-(acetyloxy)heptyl]-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-4-yl acetate 2-(1-Acetoxyheptyl)-4-(acetoxy)-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Acetoxyheptyl)-4-(acetoxy)octahydrobenzopyran-5-one Acetic acid[(2S,4R)-2-[(1S)-1-acetoxyheptyl]-5-keto-2,3,4,6,7,8-hexahydrochromen-4-yl]ester Acetic acid[(2S,4R)-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-4-yl]ester [(2S,4R)-2-[(1S)-1-acetoxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-4-yl]acetate [(2S,4R)-2-[(1S)-1-acetyloxyheptyl]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-4-yl]ethanoate [(2S,4R)-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-4-yl]acetate Acetic acid [(2S,4R)-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-4-yl] ester [(2S,4R)-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-4-yl] acetate [(2S,4R)-2-[(1S)-1-acetoxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-4-yl] acetate [(2S,4R)-2-[(1S)-1-acetyloxyheptyl]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-4-yl] ethanoate
Wiley ID 864048