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(1R,5S)-2-[(E)-2-[5-[(E)-2-[(1R,5S)-4-keto-7,7-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]vinyl]-2-thienyl]vinyl]-7,7-dimethyl-bicyclo[3.1.1]hept-2-en-4-one
SpectraBase Compound ID 5fQQUmpuTI7
InChI InChI=1S/C26H28O2S/c1-25(2)19-13-21(25)23(27)11-15(19)5-7-17-9-10-18(29-17)8-6-16-12-24(28)22-14-20(16)26(22,3)4/h5-12,19-22H,13-14H2,1-4H3/b7-5+,8-6+/t19-,20-,21+,22+/m0/s1
InChIKey CAMSEQULRLJNAS-JWENGJAYSA-N
Mol Weight 404.57 g/mol
Molecular Formula C26H28O2S
Exact Mass 404.181001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QYshu0VRcM
Name (1R,5S)-2-[(E)-2-[5-[(E)-2-[(1R,5S)-4-keto-7,7-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]vinyl]-2-thienyl]vinyl]-7,7-dimethyl-bicyclo[3.1.1]hept-2-en-4-one
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O2S
InChI InChI=1S/C26H28O2S/c1-25(2)19-13-21(25)23(27)11-15(19)5-7-17-9-10-18(29-17)8-6-16-12-24(28)22-14-20(16)26(22,3)4/h5-12,19-22H,13-14H2,1-4H3/b7-5+,8-6+/t19-,20-,21+,22+/m0/s1
InChIKey CAMSEQULRLJNAS-JWENGJAYSA-N
Literature Reference Author T.M.NGUYEN,I.A.GUZEI,D.LEE
Literature Reference Citation J.ORG.CHEM.,67,6553(2002)
Literature Reference DOI 10.1021/jo025630t
Molecular Weight 404.567 g/mol
Solvent CDCl3
Source File Reference UWSI22040