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ANGIOPTERLACTONE_A

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

ANGIOPTERLACTONE_A
SpectraBase Compound ID JTrQTiI3xeP
InChI InChI=1S/C12H16O6/c1-6(13)12-9(5-11(15)18-12)17-8-3-4-10(14)16-7(8)2/h3-4,6-9,12-13H,5H2,1-2H3/t6-,7-,8-,9+,12+/m0/s1
InChIKey BRMROXXXIVEVKO-DADSOTLSSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IR2VTtfKoSi
Name Angiopterlactone A
Alternate Name(s) (2S,3S)-3-[[(2R,3R)-2-[(1S)-1-hydroxyethyl]-5-oxo-3-oxolanyl]oxy]-2-methyl-2,3-dihydropyran-6-one (2S,3S)-3-[(2R,3R)-2-[(1S)-1-hydroxyethyl]-5-oxooxolan-3-yl]oxy-2-methyl-2,3-dihydropyran-6-one (2S,3S)-3-[(2R,3R)-2-[(1S)-1-hydroxyethyl]-5-oxo-tetrahydrofuran-3-yl]oxy-2-methyl-2,3-dihydropyran-6-one (2S,3S)-2-methyl-3-[(2R,3R)-2-[(1S)-1-oxidanylethyl]-5-oxidanylidene-oxolan-3-yl]oxy-2,3-dihydropyran-6-one
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Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-6(13)12-9(5-11(15)18-12)17-8-3-4-10(14)16-7(8)2/h3-4,6-9,12-13H,5H2,1-2H3/t6-,7-,8-,9+,12+/m0/s1
InChIKey BRMROXXXIVEVKO-DADSOTLSSA-N
Molecular Weight 256.254 g/mol
SMILES O[C@]([C@@]1([C@@](CC(=O)O1)(O[C@]1(C=CC(=O)O[C@]1(C)[H])[H])[H])[H])(C)[H]
SPLASH splash10-06si-9500000000-b411a29d07a34521a6bb
Source of Spectrum G4-72-922-1
Wiley ID 1702113