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(1S,3R,4R,5R)-1,3-Diacetoxy-4,5-dihydroxy-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 68tgU414IY4
InChI InChI=1S/C12H18O8/c1-6(13)19-9-5-12(11(17)18-3,20-7(2)14)4-8(15)10(9)16/h8-10,15-16H,4-5H2,1-3H3/t8-,9-,10-,12+/m1/s1
InChIKey NHVIJHJHUALQOM-BFLSOPEQSA-N
Mol Weight 290.27 g/mol
Molecular Formula C12H18O8
Exact Mass 290.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dUhF8epVCe
Name (1S,3R,4R,5R)-1,3-Diacetoxy-4,5-dihydroxy-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,3R,4R,5R)-1,3-diacetyloxy-4,5-dihydroxy-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,3R,4R,5R)-1,3-diacetyloxy-4,5-dihydroxycyclohexane-1-carboxylate Methyl (1S,3R,4R,5R)-1,3-diacetoxy-4,5-dihydroxy-cyclohexanecarboxylate
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Formula C12H18O8
InChI InChI=1S/C12H18O8/c1-6(13)19-9-5-12(11(17)18-3,20-7(2)14)4-8(15)10(9)16/h8-10,15-16H,4-5H2,1-3H3/t8-,9-,10-,12+/m1/s1
InChIKey NHVIJHJHUALQOM-BFLSOPEQSA-N
Molecular Weight 290.268 g/mol
SMILES O[C@]1([C@]([C@@](C[C@@](C1)(C(=O)OC)OC(=O)C)(OC(=O)C)[H])(O)[H])[H]
SPLASH splash10-0006-9010000000-2088c4ed239b6394073a
Source of Spectrum J-57-5801-4
Wiley ID 1293142