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(5'R,5"R)-1-(2'-Oxo-5'-methyl-2',5'-dihydrofuran-3'-yl)-14-[2"-oxo-4"-acetoxy-5"-methyl-2",5"-dihydrofuran-3"-yl]-tetradecane

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(5'R,5"R)-1-(2'-Oxo-5'-methyl-2',5'-dihydrofuran-3'-yl)-14-[2"-oxo-4"-acetoxy-5"-methyl-2",5"-dihydrofuran-3"-yl]-tetradecane
SpectraBase Compound ID E7m7r93jFxi
InChI InChI=1S/C26H40O6/c1-19-18-22(25(28)30-19)16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-24(32-21(3)27)20(2)31-26(23)29/h18-20H,4-17H2,1-3H3/t19-,20-/m1/s1
InChIKey YZJHCEIBBRUJET-WOJBJXKFSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InYGgn0Rqa6
Name (5'R,5''R)-1-(2'-oxo-5'-Methyl-2',5'-dihydrofuran-3'-yl)-14-[2''-oxo-4''-acetoxy-5''-methyl-2'',5''-dihydrofuran-3''-yl]-tetradecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.282489002 u
Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-19-18-22(25(28)30-19)16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-24(32-21(3)27)20(2)31-26(23)29/h18-20H,4-17H2,1-3H3/t19-,20-/m1/s1
InChIKey YZJHCEIBBRUJET-WOJBJXKFSA-N
Molecular Weight 448.600 g/mol
SMILES C1(=C([C@](C)([H])OC1=O)OC(=O)C)CCCCCCCCCCCCCCC=1C(O[C@@](C1)(C)[H])=O