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(2S,4R,8R)-4,8-Diacetoxy-2-((S)-1'-acetoxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one

View entire compound with spectra: 2 MS (GC)

(2S,4R,8R)-4,8-Diacetoxy-2-((S)-1'-acetoxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one
SpectraBase Compound ID CxJ6lwWd3ZS
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-ZGXWSNOMSA-N
Mol Weight 424.5 g/mol
Molecular Formula C22H32O8
Exact Mass 424.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZitoRy8wit
Name (2S,4R,8R)-4,8-Diacetoxy-2-((S)-1'-acetoxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one
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-ZGXWSNOMSA-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 splash10-0avj-1963000000-6703fbde1552e47202c2
Source of Spectrum X2-52-74-4
Synonyms (2S,4R,8R)-4-(acetyloxy)-2-[(1S)-1-(acetyloxy)heptyl]-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-8-yl acetate 2-(1-Acetoxyheptyl)-4,8-diacetoxyoctahydrobenzopyran-5-one 4,8-Diacetoxy-2-(1'-acetoxyheptyl)-3,4,5,6,7,8-hexahydro-2H-[1]-benzopyran-5-one Acetic acid[(2S,4R,8R)-4-acetoxy-2-[(1S)-1-acetoxyheptyl]-5-keto-2,3,4,6,7,8-hexahydrochromen-8-yl]ester Acetic acid[(2S,4R,8R)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-8-yl]ester [(2S,4R,8R)-4-acetoxy-2-[(1S)-1-acetoxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl]acetate [(2S,4R,8R)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-8-yl]ethanoate [(2S,4R,8R)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl]acetate Acetic acid [(2S,4R,8R)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-8-yl] ester [(2S,4R,8R)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl] acetate [(2S,4R,8R)-4-acetoxy-2-[(1S)-1-acetoxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl] acetate [(2S,4R,8R)-4-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-8-yl] ethanoate
Wiley ID 1603001