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1-[(3R,4S)-2,2-dimethyl-3,4,7-tris(oxidanyl)-3,4-dihydrochromen-6-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(3R,4S)-2,2-dimethyl-3,4,7-tris(oxidanyl)-3,4-dihydrochromen-6-yl]ethanone
SpectraBase Compound ID JESyi6QJVb6
InChI InChI=1S/C13H16O5/c1-6(14)7-4-8-10(5-9(7)15)18-13(2,3)12(17)11(8)16/h4-5,11-12,15-17H,1-3H3/t11-,12+/m0/s1
InChIKey VUPPIEZLVWZMRF-NWDGAFQWSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5M8KpkVnmik
Name 1-[(3R,4S)-2,2-dimethyl-3,4,7-tris(oxidanyl)-3,4-dihydrochromen-6-yl]ethanone
Alternate Name(s) 1-[(3R,4S)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone 1-[(3R,4S)-3,4,7-trihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethanone 1-[(3R,4S)-3,4,7-trihydroxy-2,2-dimethyl-chroman-6-yl]ethanone
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-6(14)7-4-8-10(5-9(7)15)18-13(2,3)12(17)11(8)16/h4-5,11-12,15-17H,1-3H3/t11-,12+/m0/s1
InChIKey VUPPIEZLVWZMRF-NWDGAFQWSA-N
Molecular Weight 252.266 g/mol
SMILES O[C@@]1([C@](C(Oc2c1cc(c(c2)O)C(=O)C)(C)C)(O)[H])[H]
SPLASH splash10-00lu-9800000000-29ecb8723b04fa14f0a4
Source of Spectrum KD-15-34-2
Wiley ID 1636621