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(+)-(1R*,6S*,7S*,10S*)-12-PARA-BrOMOBENZOYLOXY-4,11(13)-CADINADIENE
SpectraBase Compound ID 9muBkH7wPWD
InChI InChI=1S/C22H27BrO2/c1-14-4-10-19-15(2)5-11-20(21(19)12-14)16(3)13-25-22(24)17-6-8-18(23)9-7-17/h6-9,12,15,19-21H,3-5,10-11,13H2,1-2H3/t15-,19+,20+,21-/m1/s1
InChIKey YUEJQKXLNNJYOL-PSOYPTMXSA-N
Mol Weight 403.36 g/mol
Molecular Formula C22H27BrO2
Exact Mass 402.119443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBop2BddYNv
Name (+)-(1R*,6S*,7S*,10S*)-12-PARA-BrOMOBENZOYLOXY-4,11(13)-CADINADIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27BrO2
InChI InChI=1S/C22H27BrO2/c1-14-4-10-19-15(2)5-11-20(21(19)12-14)16(3)13-25-22(24)17-6-8-18(23)9-7-17/h6-9,12,15,19-21H,3-5,10-11,13H2,1-2H3/t15-,19+,20+,21-/m1/s1
InChIKey YUEJQKXLNNJYOL-PSOYPTMXSA-N
Literature Reference Author A.BARDON,N.KAMIYA,M.TOYOTA,S.TAKAOKA,Y.ASAKAWA
Literature Reference Citation PHYTOCHEM.,52,1323(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00452-5
Molecular Weight 403.359 g/mol
Solvent CDCl3
Source File Reference UWVN28