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#1;LIMBETAZULONE;(3S,4S,4AR,12BS)-1,2,3,4,4A,5,6,11,12,12B-DECAHYDRO-3-HYDROXY-4-(HYDROXYMETHYL)-NAPHTHO-[1',2:5,6]-CYCLOHEPTA-[1,2-B]-FURAN-7(7H)-ONE
SpectraBase Compound ID 2jIRJfwesWJ
InChI InChI=1S/C20H26O4/c1-19-9-7-16(22)20(2,11-21)15(19)6-4-13-14(19)5-3-12-8-10-24-18(12)17(13)23/h8,10,15-16,21-22H,3-7,9,11H2,1-2H3/t15-,16+,19-,20-/m1/s1
InChIKey WPEYMECUMIEHPE-WOUAJJJCSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KbW5OhNv4b
Name #1;LIMBETAZULONE;(3S,4S,4AR,12BS)-1,2,3,4,4A,5,6,11,12,12B-DECAHYDRO-3-HYDROXY-4-(HYDROXYMETHYL)-NAPHTHO-[1',2:5,6]-CYCLOHEPTA-[1,2-B]-FURAN-7(7H)-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-19-9-7-16(22)20(2,11-21)15(19)6-4-13-14(19)5-3-12-8-10-24-18(12)17(13)23/h8,10,15-16,21-22H,3-7,9,11H2,1-2H3/t15-,16+,19-,20-/m1/s1
InChIKey WPEYMECUMIEHPE-WOUAJJJCSA-N
Literature Reference Author M.RIAZ,K.KROHN,A.MALIK,U.FLOERKE
Literature Reference Citation CHEM.BIODIV.,1,458(2004)
Literature Reference DOI 10.1002/cbdv.200490038
Molecular Weight 330.424 g/mol
Solvent CDCl3
Source File Reference UWLU21643