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D-Glucopyranose, 2-O-[1,4a,5,6,7,7a-hexahydro-4-(methoxycarbonyl)cyclopenta[c]pyran-1- yl]-, tetraacetate, [1S-(1.alpha.,4a.alpha.,7a.alpha.)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

D-Glucopyranose, 2-O-[1,4a,5,6,7,7a-hexahydro-4-(methoxycarbonyl)cyclopenta[c]pyran-1- yl]-, tetraacetate, [1S-(1.alpha.,4a.alpha.,7a.alpha.)]-
SpectraBase Compound ID CbmfGRPNjYI
InChI InChI=1S/C24H32O13/c1-11(25)31-10-18-19(33-12(2)26)20(34-13(3)27)21(24(36-18)35-14(4)28)37-23-16-8-6-7-15(16)17(9-32-23)22(29)30-5/h9,15-16,18-21,23-24H,6-8,10H2,1-5H3/t15-,16+,18+,19+,20-,21+,23-,24?/m0/s1
InChIKey YNGDQVXYDFXWQT-GEVWFXAOSA-N
Mol Weight 528.5 g/mol
Molecular Formula C24H32O13
Exact Mass 528.184291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wKfio4f7f7
Name D-Glucopyranose, 2-o-[1,4A,5,6,7,7A-hexahydro-4-(methoxycarbonyl)cyclopenta[C]pyran-1- yl]-, tetraacetate, [1S-(1.alpha.,4A.alpha.,7A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.184291077 u
Formula C24H32O13
InChI InChI=1S/C24H32O13/c1-11(25)31-10-18-19(33-12(2)26)20(34-13(3)27)21(24(36-18)35-14(4)28)37-23-16-8-6-7-15(16)17(9-32-23)22(29)30-5/h9,15-16,18-21,23-24H,6-8,10H2,1-5H3/t15-,16+,18+,19+,20-,21+,23-,24?/m0/s1
InChIKey YNGDQVXYDFXWQT-GEVWFXAOSA-N
Molecular Weight 528.507 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](OC1OC(=O)C)(COC(=O)C)[H])[H])(OC(=O)C)[H])(O[C@@]1(OC=C([C@@]2([C@]1(CCC2)[H])[H])C(=O)OC)[H])[H]