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7-(R*)-HYDROPEROXY-14-KETO-1-(S*),11-(S*)-DOLABELL-3-(Z),8-(E),12-(Z)-TRIENE
SpectraBase Compound ID IHIDrhy0CRz
InChI InChI=1S/C20H30O3/c1-13(2)16-12-19(21)20(5)11-10-14(3)6-9-18(23-22)15(4)7-8-17(16)20/h7,10,12-13,17-18,22H,6,8-9,11H2,1-5H3/b14-10-,15-7-/t17-,18-,20+/m1/s1
InChIKey KAXUBHIBOUNYIH-LDYXHNMESA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLxQnx8pGcH
Name 7-(R*)-HYDROPEROXY-14-KETO-1-(S*),11-(S*)-DOLABELL-3-(Z),8-(E),12-(Z)-TRIENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(2)16-12-19(21)20(5)11-10-14(3)6-9-18(23-22)15(4)7-8-17(16)20/h7,10,12-13,17-18,22H,6,8-9,11H2,1-5H3/b14-10-,15-7-/t17-,18-,20+/m1/s1
InChIKey KAXUBHIBOUNYIH-LDYXHNMESA-N
Literature Reference Author X.WEI,A.D.RODRIGUEZ,P.BARAN,R.G.RAPTIS
Literature Reference Citation J.NAT.PROD.,73,925(2010)
Literature Reference DOI 10.1021/np100074r
Molecular Weight 318.456 g/mol
Sample ID 35562
Solvent CDCl3