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(1R,2S,3S,5R)-5-hydroxy-2-(2-keto-2-methoxy-ethyl)-3-methoxalyl-cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID 31V5EtQzGHb
InChI InChI=1S/C13H18O8/c1-19-9(15)5-6-7(11(16)13(18)21-3)4-8(14)10(6)12(17)20-2/h6-8,10,14H,4-5H2,1-3H3/t6-,7-,8+,10+/m0/s1
InChIKey PBOQULPZZJMPGB-QHOPCYEYSA-N
Mol Weight 302.28 g/mol
Molecular Formula C13H18O8
Exact Mass 302.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sbPz52JJnC
Name (1R,2S,3S,5R)-5-hydroxy-2-(2-keto-2-methoxy-ethyl)-3-methoxalyl-cyclopentanecarboxylic acid methyl ester
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Formula C13H18O8
InChI InChI=1S/C13H18O8/c1-19-9(15)5-6-7(11(16)13(18)21-3)4-8(14)10(6)12(17)20-2/h6-8,10,14H,4-5H2,1-3H3/t6-,7-,8+,10+/m0/s1
InChIKey PBOQULPZZJMPGB-QHOPCYEYSA-N
Molecular Weight 302.279 g/mol
SMILES O[C@]1([C@@]([C@]([C@](C(C(=O)OC)=O)([H])C1)(CC(=O)OC)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0uk9-4390000000-01321a084738ae0dcab5
Source of Spectrum H1-46-537-6
Synonyms (1R,2S,3S,5R)-5-hydroxy-3-(2-methoxy-1,2-dioxoethyl)-2-(2-methoxy-2-oxoethyl)-1-cyclopentanecarboxylic acid methyl ester Methyl (1R,2S,3S,5R)-3-(2-methoxy-2-oxidanylidene-ethanoyl)-2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanyl-cyclopentane-1-carboxylate Methyl (1R,2S,3S,5R)-5-hydroxy-3-(2-methoxy-2-oxo-acetyl)-2-(2-methoxy-2-oxo-ethyl)cyclopentanecarboxylate Methyl (1R,2S,3S,5R)-5-hydroxy-3-(2-methoxy-2-oxoacetyl)-2-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
Wiley ID 815997