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D-Glycero-L-gulo-heptitol, 2,6-anhydro-, pentaacetate

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

D-Glycero-L-gulo-heptitol, 2,6-anhydro-, pentaacetate
SpectraBase Compound ID 9olJElSpiyk
InChI InChI=1S/C17H24O11/c1-8(18)23-6-13-15(25-10(3)20)17(27-12(5)22)16(26-11(4)21)14(28-13)7-24-9(2)19/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17+/m1/s1
InChIKey NSESSVVOVAHLTQ-MTSZKFMLSA-N
Mol Weight 404.37 g/mol
Molecular Formula C17H24O11
Exact Mass 404.131862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJiqPizGLLn
Name D-Glycero-L-gulo-heptitol, 2,6-anhydro-, pentaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.131861582 u
Formula C17H24O11
InChI InChI=1S/C17H24O11/c1-8(18)23-6-13-15(25-10(3)20)17(27-12(5)22)16(26-11(4)21)14(28-13)7-24-9(2)19/h13-17H,6-7H2,1-5H3/t13-,14-,15-,16+,17+/m1/s1
InChIKey NSESSVVOVAHLTQ-MTSZKFMLSA-N
Molecular Weight 404.368 g/mol
SMILES [C@]1([C@@]([C@@](COC(=O)C)(O[C@@]([C@@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]