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(1R,3E,5R,7E,11S,12S)-5-ACETOXY-14-OXO-3,7,18-DOLABELLATRIENE
SpectraBase Compound ID 4KorSK8maKi
InChI InChI=1S/C22H32O3/c1-14(2)18-13-21(24)22(6)12-11-16(4)20(25-17(5)23)10-8-15(3)7-9-19(18)22/h8,11,18-20H,1,7,9-10,12-13H2,2-6H3/b15-8+,16-11+/t18-,19+,20-,22-/m1/s1
InChIKey NXXCCEOEKNJXPD-WLSGCCNPSA-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 3pvJz0kBeaI
Name (1R,3E,5R,7E,11S,12S)-5-ACETOXY-14-OXO-3,7,18-DOLABELLATRIENE
Compound Number 8
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)12-11-16(4)20(25-17(5)23)10-8-15(3)7-9-19(18)22/h8,11,18-20H,1,7,9-10,12-13H2,2-6H3/b15-8+,16-11+/t18-,19+,20-,22-/m1/s1
InChIKey NXXCCEOEKNJXPD-WLSGCCNPSA-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 UWLU84065