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Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, methyl ester, [1S-(1.alpha.,4a.alpha.,7a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, methyl ester, [1S-(1.alpha.,4a.alpha.,7a.alpha.)]-
SpectraBase Compound ID 3OlUNu6AiSc
InChI InChI=1S/C16H24O9/c1-22-14(21)9-6-23-15(8-4-2-3-7(8)9)25-16-13(20)12(19)11(18)10(5-17)24-16/h6-8,10-13,15-20H,2-5H2,1H3/t7-,8+,10-,11-,12+,13-,15-,16+/m1/s1
InChIKey LHNGOJOUCLPRFA-BLZVUDKZSA-N
Mol Weight 360.36 g/mol
Molecular Formula C16H24O9
Exact Mass 360.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TdenzeDDkx
Name Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, methyl ester, [1S-(1.alpha.,4a.alpha.,7a.alpha.)]-
Alternate Name(s) Methyl (1R,4aR,7aS)-1-(.beta.-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl ester of (-)-(1S,4aS,7aR)-1-(.beta.-D-glucopyranosyloxy)-1,4a,5,67,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
CAS Registry Number 67596-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O9
InChI InChI=1S/C16H24O9/c1-22-14(21)9-6-23-15(8-4-2-3-7(8)9)25-16-13(20)12(19)11(18)10(5-17)24-16/h6-8,10-13,15-20H,2-5H2,1H3/t7-,8+,10-,11-,12+,13-,15-,16+/m1/s1
InChIKey LHNGOJOUCLPRFA-BLZVUDKZSA-N
Molecular Weight 360.359 g/mol
SMILES O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(O[C@@]1([C@@]2([C@](C(=CO1)C(=O)OC)(CCC2)[H])[H])[H])[H])[H])(O)[H])[H]
SPLASH splash10-000t-0900000000-c9a09cb24c7f671278fa
Source of Spectrum K-111-2437-0
Wiley ID 1348086