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2H-Pyran-2-one, 6-[5-(benzoyloxy)-1-methoxy-3-methylpentyl]tetrahydro-5-methoxy-3-methyl-, [3R-[3.alpha.,5.alpha.,6.beta.(1S*,3S*)]]-
SpectraBase Compound ID 1tv5pBQFE1h
InChI InChI=1S/C21H30O6/c1-14(10-11-26-21(23)16-8-6-5-7-9-16)12-17(24-3)19-18(25-4)13-15(2)20(22)27-19/h5-9,14-15,17-19H,10-13H2,1-4H3/t14?,15-,17-,18+,19-/m0/s1
InChIKey MOPABWYNIYTFMV-ROVVYWQMSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjCGbYsvoIf
Name 2H-Pyran-2-one, 6-[5-(benzoyloxy)-1-methoxy-3-methylpentyl]tetrahydro-5-methoxy-3-methyl-, [3R-[3.alpha.,5.alpha.,6.beta.(1S*,3S*)]]-
Alternate Name(s) (5S)-5-methoxy-5-[(2S,3R,5S)-3-methoxy-5-methyl-6-oxooxan-2-yl]-3-methylpentyl benzoate [3R-[3.alpha.,5.alpha.,6.beta.(1S*,3S*)]]-6-[5-(benzoyloxy)-1-methoxy-3-methylphenyl]tetrahydro-5-methoxy-3-methyl-2H-pyran-2-one
CAS Registry Number 118299-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-14(10-11-26-21(23)16-8-6-5-7-9-16)12-17(24-3)19-18(25-4)13-15(2)20(22)27-19/h5-9,14-15,17-19H,10-13H2,1-4H3/t14?,15-,17-,18+,19-/m0/s1
InChIKey MOPABWYNIYTFMV-ROVVYWQMSA-N
Molecular Weight 378.465 g/mol
SMILES [C@@]1(OC([C@](C[C@]1(OC)[H])(C)[H])=O)([C@](CC(CCOC(=O)c1ccccc1)C)(OC)[H])[H]
SPLASH splash10-0002-9400000000-76cbeb7de9c8463f9614
Source of Spectrum J-55-2784-35
Wiley ID 1358800