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3-(R*)-HYDROXY-13-KETO-1-(R*),11-(S*)-DOLABELL-4-(16),7-(E),12-(18)-TRIENE
SpectraBase Compound ID BI2k4xWGwyq
InChI InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,16-17,21H,4,6,8-12H2,1-3,5H3/b14-7+/t16-,17+,20-/m1/s1
InChIKey BPCYMUXHHKFEGG-IBUUTEMCSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1G0IQLSG0x
Name 3-(R*)-HYDROXY-13-KETO-1-(R*),11-(S*)-DOLABELL-4-(16),7-(E),12-(18)-TRIENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)19-16-10-9-14(3)7-6-8-15(4)17(21)11-20(16,5)12-18(19)22/h7,16-17,21H,4,6,8-12H2,1-3,5H3/b14-7+/t16-,17+,20-/m1/s1
InChIKey BPCYMUXHHKFEGG-IBUUTEMCSA-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 302.457 g/mol
Sample ID 35557
Solvent CDCl3