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[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexadecanoate

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[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexadecanoate
SpectraBase Compound ID G8QphCToZU0
InChI InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)28-16-17-19(24)20(25)21(26)22(27)29-17/h17,19-22,24-27H,2-16H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey JTWNPFJEQQORKD-MIUGBVLSSA-N
Mol Weight 418.6 g/mol
Molecular Formula C22H42O7
Exact Mass 418.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSGDQzv8L53
Name [(2R,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxan-2-yl]methyl hexadecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.293053685 u
Formula C22H42O7
InChI InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)28-16-17-19(24)20(25)21(26)22(27)29-17/h17,19-22,24-27H,2-16H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey JTWNPFJEQQORKD-MIUGBVLSSA-N
Molecular Weight 418.571 g/mol
SMILES [C@@]1([C@]([C@](O)([C@](O[C@]1(O)[H])(COC(=O)CCCCCCCCCCCCCCC)[H])[H])(O)[H])(O)[H]