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(2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester

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

(2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester
SpectraBase Compound ID 1nRSIIMjwTY
InChI InChI=1S/C22H32O4/c1-14-9-10-19(24)18-13-16(3)21(15(2)11-12-23)17(22(14)18)7-5-6-8-20(25)26-4/h5-8,11,13-14,17-19,21-24H,9-10,12H2,1-4H3/b7-5+,8-6+,15-11+/t14-,17+,18+,19-,21+,22-/m1/s1
InChIKey BIXRBOHCIZTJQQ-MIAGRYQXSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6R8mPO5yJqU
Name (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-3-hydroxy-1-methyl-prop-1-enyl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid methyl ester
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-14-9-10-19(24)18-13-16(3)21(15(2)11-12-23)17(22(14)18)7-5-6-8-20(25)26-4/h5-8,11,13-14,17-19,21-24H,9-10,12H2,1-4H3/b7-5+,8-6+,15-11+/t14-,17+,18+,19-,21+,22-/m1/s1
InChIKey BIXRBOHCIZTJQQ-MIAGRYQXSA-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 360.494 g/mol
Solvent CDCl3
Source File Reference UWMZ15591