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.alpha.-D-Glucopyranose, 2-O-[1,4a,5,6,7,7a-hexahydro-4-(methoxycarbonyl)cyclopenta[c]pyran-1- yl]-, [1S-(1.alpha.,4a.alpha.,7a.alpha.)]-
SpectraBase Compound ID 51MvY5T7pLS
InChI InChI=1S/C16H24O9/c1-22-14(20)9-6-23-16(8-4-2-3-7(8)9)25-13-12(19)11(18)10(5-17)24-15(13)21/h6-8,10-13,15-19,21H,2-5H2,1H3/t7-,8+,10+,11+,12-,13+,15-,16-/m0/s1
InChIKey ACEXIBNNGOWTMW-HMXFAVALSA-N
Mol Weight 360.36 g/mol
Molecular Formula C16H24O9
Exact Mass 360.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eb4kDfddTSG
Name .alpha.-D-Glucopyranose, 2-o-[1,4A,5,6,7,7A-hexahydro-4-(methoxycarbonyl)cyclopenta[C]pyran-1- yl]-, [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 360.142032344 u
Formula C16H24O9
InChI InChI=1S/C16H24O9/c1-22-14(20)9-6-23-16(8-4-2-3-7(8)9)25-13-12(19)11(18)10(5-17)24-15(13)21/h6-8,10-13,15-19,21H,2-5H2,1H3/t7-,8+,10+,11+,12-,13+,15-,16-/m0/s1
InChIKey ACEXIBNNGOWTMW-HMXFAVALSA-N
Molecular Weight 360.359 g/mol
SMILES C1(=CO[C@]([C@]2([C@@]1(CCC2)[H])[H])(O[C@@]1([C@]([C@](O)([C@](O[C@@]1(O)[H])(CO)[H])[H])(O)[H])[H])[H])C(=O)OC