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5-HYDROXY-3-[4-(2-METHYL-1,3-DIOXOLAN-1-YL)-3-OXOBUTYL]-2-(2-OXOPROPYL)-[1.4]-NAPHTHOQUINONE
SpectraBase Compound ID 55sCJRPdVww
InChI InChI=1S/C21H22O7/c1-12(22)10-16-14(7-6-13(23)11-21(2)27-8-9-28-21)20(26)18-15(19(16)25)4-3-5-17(18)24/h3-5,24H,6-11H2,1-2H3
InChIKey OHYFRSROIZZNAJ-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3MpCl67Dqq
Name 5-HYDROXY-3-[4-(2-METHYL-1,3-DIOXOLAN-1-YL)-3-OXOBUTYL]-2-(2-OXOPROPYL)-[1.4]-NAPHTHOQUINONE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-12(22)10-16-14(7-6-13(23)11-21(2)27-8-9-28-21)20(26)18-15(19(16)25)4-3-5-17(18)24/h3-5,24H,6-11H2,1-2H3
InChIKey OHYFRSROIZZNAJ-UHFFFAOYSA-N
Literature Reference Author K.KROHN,N.BOEKER,U.FLOERKE,C.FREUND
Literature Reference Citation J.ORG.CHEM.,62,2350(1997)
Literature Reference DOI 10.1021/jo9622587
Molecular Weight 386.401 g/mol
Solvent CDCl3
Source File Reference UWMZ4290