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(1R,3E,7S,11S,12S)-7-ACETOXY-14-OXO-3,8(17),18-DOLABELLATRIENE
SpectraBase Compound ID 47x1M3FQx6K
InChI InChI=1S/C22H32O3/c1-14(2)18-13-21(24)22(6)12-11-15(3)7-10-20(25-17(5)23)16(4)8-9-19(18)22/h11,18-20H,1,4,7-10,12-13H2,2-3,5-6H3/b15-11+/t18-,19+,20+,22-/m1/s1
InChIKey LEKTXKLLRZYNPF-RMBAWTSGSA-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 I5lzPP7tC3B
Name (1R,3E,7S,11S,12S)-7-ACETOXY-14-OXO-3,8(17),18-DOLABELLATRIENE
Compound Number 9
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)18-13-21(24)22(6)12-11-15(3)7-10-20(25-17(5)23)16(4)8-9-19(18)22/h11,18-20H,1,4,7-10,12-13H2,2-3,5-6H3/b15-11+/t18-,19+,20+,22-/m1/s1
InChIKey LEKTXKLLRZYNPF-RMBAWTSGSA-N
Literature Reference Author E.IOANNOU,A.QUESADA,M.M.RAHMAN,S.GIBBONS,C.VAGIAS,V.ROUSSIS
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5177(2012)
Literature Reference DOI 10.1002/ejoc.201200533
Molecular Weight 344.494 g/mol
Solvent CDCl3
Source File Reference UWLU84066