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3-(4,5-Dihydroxy-6-(acetoxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
SpectraBase Compound ID 4FYhpU7GtgF
InChI InChI=1S/C17H22INO9/c1-9(20)27-8-17(26-4)15(22)12(21)7-19(28-17)11-5-10(16(23)25-3)6-13(24-2)14(11)18/h5-6,12,15,21-22H,7-8H2,1-4H3/t12-,15-,17+/m1/s1
InChIKey QYDXJSVJXHFDJV-VMGRFDJRSA-N
Mol Weight 511.27 g/mol
Molecular Formula C17H22INO9
Exact Mass 511.033926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H22hHuBH8z9
Name 3-(4,5-Dihydroxy-6-(acetoxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
Alternate Name(s) 3-((4R,5R,6S)-6-Acetoxymethyl-4,5-dihydroxy-6-methoxy-[1,2]oxazinan-2-yl)-4-iodo-5-methoxy-benzoic acid methyl ester Methyl 3-{6-[(acetyloxy)methyl]-4,5-dihydroxy-6-methoxytetrahydro-2H-1,2-oxazin-2-yl}-4-iodo-5-methoxybenzoate
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Formula C17H22INO9
InChI InChI=1S/C17H22INO9/c1-9(20)27-8-17(26-4)15(22)12(21)7-19(28-17)11-5-10(16(23)25-3)6-13(24-2)14(11)18/h5-6,12,15,21-22H,7-8H2,1-4H3/t12-,15-,17+/m1/s1
InChIKey QYDXJSVJXHFDJV-VMGRFDJRSA-N
Molecular Weight 511.265 g/mol
SMILES O[C@]1([C@@](ON(C[C@]1(O)[H])c1c(c(OC)cc(c1)C(=O)OC)I)(COC(=O)C)OC)[H]
SPLASH splash10-029i-0009030000-ccbbaf39b6c20603ba9b
Source of Spectrum C-115-6097-15
Wiley ID 1400629