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Nonaacetyl-D-lyxo-D-manno-nonitol

View entire compound with spectra: 1 NMR

Nonaacetyl-D-lyxo-D-manno-nonitol
SpectraBase Compound ID G5N3m8u6wbs
InChI InChI=1S/C27H38O18/c1-12(28)37-10-21(39-14(3)30)23(41-16(5)32)25(43-18(7)34)27(45-20(9)36)26(44-19(8)35)24(42-17(6)33)22(40-15(4)31)11-38-13(2)29/h21-27H,10-11H2,1-9H3
InChIKey BIWHLSPQVDTOCA-UHFFFAOYSA-N
Mol Weight 650.6 g/mol
Molecular Formula C27H38O18
Exact Mass 650.205814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGywhOKxmEW
Name Nonaacetyl-D-lyxo-D-manno-nonitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 650.205814366 u
Formula C27H38O18
InChI InChI=1S/C27H38O18/c1-12(28)37-10-21(39-14(3)30)23(41-16(5)32)25(43-18(7)34)27(45-20(9)36)26(44-19(8)35)24(42-17(6)33)22(40-15(4)31)11-38-13(2)29/h21-27H,10-11H2,1-9H3
InChIKey BIWHLSPQVDTOCA-UHFFFAOYSA-N
Molecular Weight 650.583 g/mol
SMILES CC(OCC(C(C(C(C(C(C(COC(C)=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(C)=O)OC(=O)C)=O