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methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
SpectraBase Compound ID J6jXgyu5zrD
InChI InChI=1S/C22H32O3/c1-6-14(2)21-16(4)13-18-19(23)12-11-15(3)22(18)17(21)9-7-8-10-20(24)25-5/h6-10,13,15,17-19,21-23H,11-12H2,1-5H3/b9-7+,10-8+,14-6+/t15-,17+,18+,19-,21+,22-/m1/s1
InChIKey LAQPVZCYDJPNFM-YMFBZAOPSA-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 44OAiYCokwW
Name methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-6-14(2)21-16(4)13-18-19(23)12-11-15(3)22(18)17(21)9-7-8-10-20(24)25-5/h6-10,13,15,17-19,21-23H,11-12H2,1-5H3/b9-7+,10-8+,14-6+/t15-,17+,18+,19-,21+,22-/m1/s1
InChIKey LAQPVZCYDJPNFM-YMFBZAOPSA-N
Literature Reference Author D.N.QUANG,M.STADLER,J.FOURNIER,Y.ASAKAWA
Literature Reference Citation J.NAT.PROD.,69,1198(2006)
Literature Reference DOI 10.1021/np0602057
Molecular Weight 344.494 g/mol
Solvent CDCl3
Source File Reference UWMZ15590