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Tetrahydro-3-hydroxy-4-[(2R-trans)-1,6-dimethyl-2-oxo-cyclohexyl]-[4R(4alpha(R*),3zeta)]-furan-2-carboxylic acid methyl ester
SpectraBase Compound ID 5lLVNXu7OJI
InChI InChI=1S/C16H26O5/c1-9-7-6-8-10(17)16(9,4)13-11(18)12(14(19)20-5)21-15(13,2)3/h9,11-13,18H,6-8H2,1-5H3/t9-,11?,12-,13-,16+/m1/s1
InChIKey PUXYCVOYMUQDBM-CWQFLCEISA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUrfxCMsjqK
Name Tetrahydro-3-hydroxy-4-[(2R-trans)-1,6-dimethyl-2-oxo-cyclohexyl]-[4R(4alpha(R*),3zeta)]-furan-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-9-7-6-8-10(17)16(9,4)13-11(18)12(14(19)20-5)21-15(13,2)3/h9,11-13,18H,6-8H2,1-5H3/t9-,11?,12-,13-,16+/m1/s1
InChIKey PUXYCVOYMUQDBM-CWQFLCEISA-N
Literature Reference DOI 10.1002/ardp.19843170613
Molecular Weight 298.379 g/mol
SMILES OC1[C@@]([C@@]2(C(CCC[C@]2(C)[H])=O)C)(C(O[C@]1(C(OC)=O)[H])(C)C)[H]
SPLASH splash10-01t9-5910000000-9c829275fc2216ad3f4b
Source of Spectrum APC-317-564-4
Synonyms Methyl (2R,4R)-4-((1R,2R)-1,2-dimethyl-6-oxocyclohexyl)-3-hydroxy-5,5-dimethyltetrahydrofuran-2-carboxylate
Wiley ID 1788170