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(1R,3E,7S,8E,11S,12S)-7-HYDROXY-14-OXO-3,8,18-DOLABELLATRIENE
SpectraBase Compound ID Lx658SDJWXP
InChI InChI=1S/C20H30O2/c1-13(2)16-12-19(22)20(5)11-10-14(3)6-9-18(21)15(4)7-8-17(16)20/h7,10,16-18,21H,1,6,8-9,11-12H2,2-5H3/b14-10+,15-7+/t16-,17+,18+,20-/m1/s1
InChIKey CRLWWIJCRZSNJO-NIIVBPIASA-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 9tdXfTPz0TP
Name (1R,3E,7S,8E,11S,12S)-7-HYDROXY-14-OXO-3,8,18-DOLABELLATRIENE
Compound Number 2
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)16-12-19(22)20(5)11-10-14(3)6-9-18(21)15(4)7-8-17(16)20/h7,10,16-18,21H,1,6,8-9,11-12H2,2-5H3/b14-10+,15-7+/t16-,17+,18+,20-/m1/s1
InChIKey CRLWWIJCRZSNJO-NIIVBPIASA-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 302.457 g/mol
Solvent CDCl3
Source File Reference UWLU84059