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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADKeNQi4u
Name (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-5-Hydroxy-3,8-dimethyl-2-((E)-1-methyl-propenyl)-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-penta-2,4-dienoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 344.495 g/mol
SMILES O[C@]1([C@@]2(C=C([C@@]([C@](\C=C\C=C\C(=O)OC)([C@]2([C@@](CC1)(C)[H])[H])[H])(\C(=C\C)C)[H])C)[H])[H]
SPLASH splash10-0abi-1910000000-b1c165a8a502da7f9670
Source of Spectrum G4-69-1201-5
Synonyms 3,8-Dimethyl-2-(1'-methyl-1'-propenyl)-1-[4''-(methoxycarbonyl)buta-1'',3''-dienyl]-5-hydroxy-(octahydro)naphthalene Carneic acid a-methyl ester (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-dienoic acid methyl ester 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 Methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-5-hydroxy-3,8-dimethyl-2-[(E)-1-methylprop-1-enyl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate Methyl (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-3,8-dimethyl-5-oxidanyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
Wiley ID 1694404