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2-[[(3S,6R)-4-keto-6-propyl-tetrahydropyran-3-yl]methyl]-3,5-dimethoxy-benzoic acid
SpectraBase Compound ID KVyWZkM5H5e
InChI InChI=1S/C18H24O6/c1-4-5-12-8-16(19)11(10-24-12)6-14-15(18(20)21)7-13(22-2)9-17(14)23-3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,20,21)/t11-,12+/m0/s1
InChIKey YYAVTPBFBLUPMC-NWDGAFQWSA-N
Mol Weight 336.38 g/mol
Molecular Formula C18H24O6
Exact Mass 336.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAzGf5FxAJI
Name 2-[[(3S,6R)-4-keto-6-propyl-tetrahydropyran-3-yl]methyl]-3,5-dimethoxy-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O6
InChI InChI=1S/C18H24O6/c1-4-5-12-8-16(19)11(10-24-12)6-14-15(18(20)21)7-13(22-2)9-17(14)23-3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,20,21)/t11-,12+/m0/s1
InChIKey YYAVTPBFBLUPMC-NWDGAFQWSA-N
Molecular Weight 336.384 g/mol
SMILES OC(c1c(C[C@@]2(C(C[C@](OC2)(CCC)[H])=O)[H])c(cc(OC)c1)OC)=O
SPLASH splash10-0002-0911000000-4057c2aa97453ce5e74e
Source of Spectrum AH-123-255-2
Synonyms 3,5-Dimethoxy-2-[[(3S,6R)-4-oxidanylidene-6-propyl-oxan-3-yl]methyl]benzoic acid 3,5-Dimethoxy-2-[[(3S,6R)-4-oxo-6-propyl-3-oxanyl]methyl]benzoic acid 3,5-Dimethoxy-2-[[(3S,6R)-4-oxo-6-propyl-tetrahydropyran-3-yl]methyl]benzoic acid 3,5-Dimethoxy-2-[[(3S,6R)-4-oxo-6-propyloxan-3-yl]methyl]benzoic acid
Wiley ID 1332327