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VALERILACTONE-A
SpectraBase Compound ID 3mpuqAOJXQK
InChI InChI=1S/C22H30O6/c1-7-12(2)19(24)28-18-17-16(27-15(5)23)9-8-13(3)21(17,6)11-22(18)14(4)10-26-20(22)25/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7-/t13-,16-,17+,18+,21+,22+/m0/s1
InChIKey KTEUCPFBTTWNQY-RRIKAWJQSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TYt3PMRvfu
Name VALERILACTONE-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-7-12(2)19(24)28-18-17-16(27-15(5)23)9-8-13(3)21(17,6)11-22(18)14(4)10-26-20(22)25/h7,13,16-18H,4,8-11H2,1-3,5-6H3/b12-7-/t13-,16-,17+,18+,21+,22+/m0/s1
InChIKey KTEUCPFBTTWNQY-RRIKAWJQSA-N
Literature Reference Author J.XU,B.YANG,Y.GUO,D.Q.JIN,P.GUO,C.LIU,W.HOU,T.ZHANG,L.GUI,Z. SUN
Literature Reference Citation FITOTERAPIA,82,849(2011)
Literature Reference DOI 10.1016/j.fitote.2011.04.012
Molecular Weight 390.477 g/mol
Solvent CDCl3
Source File Reference UWDB1048