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3-(R*)-ACETOXY-13-KETO-1-(R*),11-(S*)-DOLABELL-4-(16),7-(E),12-(18)-TRIENE
SpectraBase Compound ID DsiOjLYvFsM
InChI InChI=1S/C22H32O3/c1-14(2)21-18-11-10-15(3)8-7-9-16(4)20(25-17(5)23)13-22(18,6)12-19(21)24/h8,18,20H,4,7,9-13H2,1-3,5-6H3/b15-8+/t18-,20+,22+/m1/s1
InChIKey WYZJBWCWBBQHFF-YLKJAGNESA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkQUmKE79HK
Name 3-(R*)-ACETOXY-13-KETO-1-(R*),11-(S*)-DOLABELL-4-(16),7-(E),12-(18)-TRIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-14(2)21-18-11-10-15(3)8-7-9-16(4)20(25-17(5)23)13-22(18,6)12-19(21)24/h8,18,20H,4,7,9-13H2,1-3,5-6H3/b15-8+/t18-,20+,22+/m1/s1
InChIKey WYZJBWCWBBQHFF-YLKJAGNESA-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 344.494 g/mol
Sample ID 35556
Solvent CDCl3