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(-)-(4-S,7-S,10-S)-2-OXO-GUAIA-1-(5),11-(13)-DIEN-12-OIC_ACID
SpectraBase Compound ID 2PvKOmm4qHN
InChI InChI=1S/C15H20O3/c1-8-4-5-11(10(3)15(17)18)7-12-9(2)6-13(16)14(8)12/h8-9,11H,3-7H2,1-2H3,(H,17,18)/t8-,9-,11-/m0/s1
InChIKey BKDIGSVKCZYPHX-QXEWZRGKSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UjhgNLYGFy
Name (-)-(4-S,7-S,10-S)-2-OXO-GUAIA-1-(5),11-(13)-DIEN-12-OIC_ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-4-5-11(10(3)15(17)18)7-12-9(2)6-13(16)14(8)12/h8-9,11H,3-7H2,1-2H3,(H,17,18)/t8-,9-,11-/m0/s1
InChIKey BKDIGSVKCZYPHX-QXEWZRGKSA-N
Literature Reference Author W.CHENG,C.ZHU,W.XU,X.FAN,Y.YANG,Y.LI,X.CHEN,W.WANG,J.SHI
Literature Reference Citation J.NAT.PROD.,72,2145(2009)
Literature Reference DOI 10.1021/np900504a
Molecular Weight 248.322 g/mol
Sample ID 34234
Solvent CDCl3