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(3aR*,6aS*)-5-[(S*)-1-Hydroxypentyl]-3-(4-methyl-5-oxo-2,5-dihydrofuran-2-yloxymethylene)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one isomer

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(3aR*,6aS*)-5-[(S*)-1-Hydroxypentyl]-3-(4-methyl-5-oxo-2,5-dihydrofuran-2-yloxymethylene)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one isomer
SpectraBase Compound ID 8PnnpNutOr4
InChI InChI=1S/C18H22O6/c1-3-4-5-14(19)11-7-12-13(18(21)23-15(12)8-11)9-22-16-6-10(2)17(20)24-16/h6,8-9,12,14-16,19H,3-5,7H2,1-2H3/b13-9+/t12-,14+,15+,16?/m1/s1
InChIKey ZURBQDSUVAOIRG-TUGKJFKNSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjQRe3aJwp4
Name (3aR*,6aS*)-5-[(S*)-1-Hydroxypentyl]-3-(4-methyl-5-oxo-2,5-dihydrofuran-2-yloxymethylene)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one isomer
Alternate Name(s) (3E,3aR,6aS)-5-[(1S)-1-hydroxypentyl]-3-{[(4-methyl-5-oxo-2,5-dihydro-2-furanyl)oxy]methylene}-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-3-4-5-14(19)11-7-12-13(18(21)23-15(12)8-11)9-22-16-6-10(2)17(20)24-16/h6,8-9,12,14-16,19H,3-5,7H2,1-2H3/b13-9+/t12-,14+,15+,16?/m1/s1
InChIKey ZURBQDSUVAOIRG-TUGKJFKNSA-N
Molecular Weight 334.368 g/mol
SMILES O[C@](C=1C[C@@]2(\C(C(O[C@]2(C1)[H])=O)=C/OC1OC(=O)C(=C1)C)[H])(CCCC)[H]
SPLASH splash10-052b-9181000000-1eaec11294ecccdabaa0
Source of Spectrum F-52-14839-20
Wiley ID 799781