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LIBOCEDRINE_A;3,10-(14),11-(13)-GUAIATRIENE-9,12-DIOL
SpectraBase Compound ID 9Gr8Y8OAJMh
InChI InChI=1S/C15H22O2/c1-9-4-5-13-11(3)15(17)7-12(6-14(9)13)10(2)8-16/h4,12-17H,2-3,5-8H2,1H3/t12-,13-,14+,15-/m1/s1
InChIKey YTKQMOYTLFQVRL-APIJFGDWSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3p2eo0KHJyV
Name LIBOCEDRINE_A;3,10-(14),11-(13)-GUAIATRIENE-9,12-DIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9-4-5-13-11(3)15(17)7-12(6-14(9)13)10(2)8-16/h4,12-17H,2-3,5-8H2,1H3/t12-,13-,14+,15-/m1/s1
InChIKey YTKQMOYTLFQVRL-APIJFGDWSA-N
Literature Reference Author Y.J.ZHANG,M.LITAUDON,H.BOUSSEROUEL,M.T.MARTIN,O.THOISON,S.LE ONCE,V.DUMONTET,T.SE
Literature Reference Citation J.NAT.PROD.,70,1368(2007)
Literature Reference DOI 10.1021/np070124q
Molecular Weight 234.338 g/mol
Sample ID 31448
Solvent CDCl3