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Ethyl 4-{(3aS,4S,7S,7aR)-2,2-dimethyl-7-(2-oxoethyl)-3a,6,7,7a-tetrahydro-4H-1,3-dioxolo[4,5-c]pyran-4-yl}-3-methylbut-2(E)-enoate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-{(3aS,4S,7S,7aR)-2,2-dimethyl-7-(2-oxoethyl)-3a,6,7,7a-tetrahydro-4H-1,3-dioxolo[4,5-c]pyran-4-yl}-3-methylbut-2(E)-enoate
SpectraBase Compound ID 71ikIBzmgJ6
InChI InChI=1S/C17H26O6/c1-5-20-14(19)9-11(2)8-13-16-15(22-17(3,4)23-16)12(6-7-18)10-21-13/h7,9,12-13,15-16H,5-6,8,10H2,1-4H3/b11-9+/t12-,13-,15+,16-/m0/s1
InChIKey WMPINZFXRXIIKI-HPRVJBMSSA-N
Mol Weight 326.39 g/mol
Molecular Formula C17H26O6
Exact Mass 326.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkUeOO5W5RJ
Name Ethyl 4-{(3aS,4S,7S,7aR)-2,2-dimethyl-7-(2-oxoethyl)-3a,6,7,7a-tetrahydro-4H-1,3-dioxolo[4,5-c]pyran-4-yl}-3-methylbut-2(E)-enoate
Alternate Name(s) ethyl (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-3-methyl-6,7-O-(1-methylethylidene)-8-(2-oxoethyl)-L-talo-non-2-enonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O6
InChI InChI=1S/C17H26O6/c1-5-20-14(19)9-11(2)8-13-16-15(22-17(3,4)23-16)12(6-7-18)10-21-13/h7,9,12-13,15-16H,5-6,8,10H2,1-4H3/b11-9+/t12-,13-,15+,16-/m0/s1
InChIKey WMPINZFXRXIIKI-HPRVJBMSSA-N
Molecular Weight 326.389 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@@](CC=O)(CO[C@]1(C\C(=C\C(=O)OCC)C)[H])[H])[H])[H]
SPLASH splash10-0002-0900000000-2201a5fbab1ecc170029
Source of Spectrum F-50-10746-10
Wiley ID 789415