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3,4,5-triacetoxy-6-(cyclohexanecarbonyloxy)tetrahydropyran-2-carboxylic acid methyl ester
SpectraBase Compound ID GCvgQdBPSIY
InChI InChI=1S/C20H28O11/c1-10(21)27-14-15(28-11(2)22)17(29-12(3)23)20(30-16(14)19(25)26-4)31-18(24)13-8-6-5-7-9-13/h13-17,20H,5-9H2,1-4H3
InChIKey ZPPNZEAVGCGLHU-UHFFFAOYSA-N
Mol Weight 444.43 g/mol
Molecular Formula C20H28O11
Exact Mass 444.163162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ox2BopK0S8
Name 3,4,5-triacetoxy-6-(cyclohexanecarbonyloxy)tetrahydropyran-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O11
InChI InChI=1S/C20H28O11/c1-10(21)27-14-15(28-11(2)22)17(29-12(3)23)20(30-16(14)19(25)26-4)31-18(24)13-8-6-5-7-9-13/h13-17,20H,5-9H2,1-4H3
InChIKey ZPPNZEAVGCGLHU-UHFFFAOYSA-N
Molecular Weight 444.433 g/mol
SMILES C1(C(C(OC(=O)C)C(C(O1)OC(=O)C1CCCCC1)OC(=O)C)OC(=O)C)C(=O)OC
SPLASH splash10-01po-9500000000-b744d0b478ca0728f3cf
Source of Spectrum KO-6-450-3
Synonyms 3,4,5-triacetyloxy-6-[cyclohexyl(oxo)methoxy]-2-oxanecarboxylic acid methyl ester Methyl 2,3,4-tri-O-acetyl-1-O-(cyclohexylcarbonyl)hexopyranuronate Methyl 3,4,5-triacetoxy-6-(cyclohexanecarbonyloxy)tetrahydropyran-2-carboxylate Methyl 3,4,5-triacetyloxy-6-(cyclohexanecarbonyloxy)oxane-2-carboxylate Methyl 3,4,5-triacetyloxy-6-cyclohexylcarbonyloxy-oxane-2-carboxylate Methyl cyclohexylcarbonyl-.beta.-d-glucuronide, triacetate
Wiley ID 1385887