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4.alpha.H,10.alpha.H-4-Carboxy-7-methyl-5-oxospiro[bicyclo[4.4.0]decane-8,3'-(5'-furan-3'-yl)-2'-oxotetrahydrofuran] isomer

View entire compound with spectra: 2 MS (GC)

4.alpha.H,10.alpha.H-4-Carboxy-7-methyl-5-oxospiro[bicyclo[4.4.0]decane-8,3'-(5'-furan-3'-yl)-2'-oxotetrahydrofuran] isomer
SpectraBase Compound ID F3fwv15YcPg
InChI InChI=1S/C19H22O6/c1-10-7-14(20)16-12(17(21)22)3-2-4-13(16)19(10)8-15(25-18(19)23)11-5-6-24-9-11/h5-6,9-10,12-13,15-16H,2-4,7-8H2,1H3,(H,21,22)/t10-,12+,13-,15?,16+,19-/m1/s1
InChIKey ABTUAKXRICGLIQ-NXZDCRRNSA-N
Mol Weight 346.38 g/mol
Molecular Formula C19H22O6
Exact Mass 346.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvNcIfkzXgR
Name 4.alpha.H,10.alpha.H-4-Carboxy-7-methyl-5-oxospiro[bicyclo[4.4.0]decane-8,3'-(5'-furan-3'-yl)-2'-oxotetrahydrofuran] isomer
Alternate Name(s) (1R,2R,4aR,5S,8aR)-5'-(furan-3-yl)-2-methyl-2',4-dioxo-octahydro-2H-spiro[naphthalene-1,3'-oxolane]-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O6
InChI InChI=1S/C19H22O6/c1-10-7-14(20)16-12(17(21)22)3-2-4-13(16)19(10)8-15(25-18(19)23)11-5-6-24-9-11/h5-6,9-10,12-13,15-16H,2-4,7-8H2,1H3,(H,21,22)/t10-,12+,13-,15?,16+,19-/m1/s1
InChIKey ABTUAKXRICGLIQ-NXZDCRRNSA-N
Molecular Weight 346.379 g/mol
SMILES OC([C@@]1([C@]2([C@]([C@]3(C(OC(C3)c3cocc3)=O)[C@@](CC2=O)(C)[H])(CCC1)[H])[H])[H])=O
SPLASH splash10-00u5-9643000000-8b26c66cba7da9383a38
Source of Spectrum H1-43-616-7
Wiley ID 757750