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(2R*,3S*,6R*)-6-[(2S*)-2-acetoxy-4-methylpentyl]-2-(3,3-dimethyl-2-oxobutyl)-3-methyltetrahydropyran
SpectraBase Compound ID 3mXEBmYN1fl
InChI InChI=1S/C20H36O4/c1-13(2)10-17(23-15(4)21)11-16-9-8-14(3)18(24-16)12-19(22)20(5,6)7/h13-14,16-18H,8-12H2,1-7H3/t14-,16+,17-,18+/m0/s1
InChIKey GEKMUBITONZHEV-XOYOTBSWSA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kArwMoTabe
Name (2R*,3S*,6R*)-6-[(2S*)-2-acetoxy-4-methylpentyl]-2-(3,3-dimethyl-2-oxobutyl)-3-methyltetrahydropyran
CAS Registry Number 117270-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-13(2)10-17(23-15(4)21)11-16-9-8-14(3)18(24-16)12-19(22)20(5,6)7/h13-14,16-18H,8-12H2,1-7H3/t14-,16+,17-,18+/m0/s1
InChIKey GEKMUBITONZHEV-XOYOTBSWSA-N
Molecular Weight 340.504 g/mol
SMILES [C@]1(O[C@](CC[C@@]1(C)[H])(C[C@@](OC(=O)C)(CC(C)C)[H])[H])(CC(C(C)(C)C)=O)[H]
SPLASH splash10-008c-0390000000-e2e51b2d1f4c0d70464b
Source of Spectrum J-54-107-34
Synonyms (1S)-1-{[(2R,5S,6R)-6-(3,3-dimethyl-2-oxobutyl)-5-methyltetrahydro-2H-pyran-2-yl]methyl}-3-methylbutyl acetate
Wiley ID 1335356