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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G21CaJ7PE0w
Name (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-Hydroxy-2-((E)-3-hydroxy-1-methyl-propenyl)-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-naphthalen-1-yl]-penta-2,4-dienoic ad methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 360.494 g/mol
SMILES O[C@]1([C@]2([C@@]([C@]([C@@](\C(=C\CO)C)(C(=C2)C)[H])(\C=C\C=C\C(=O)OC)[H])([C@@](CC1)(C)[H])[H])[H])[H]
SPLASH splash10-0a4r-2911000000-1df6027a2b1804d031c1
Source of Spectrum G4-69-1201-6
Synonyms 3,8-Dimethyl-2-(1'-methyl-3'-hydroxy-1'-propenyl)-1-[4''-(methoxycarbonyl)buta-1'',3''-dienyl]-5-hydroxy-(octahydro)naphthalene Carneic acid b-methyl ester (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-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,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate Methyl (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-dienoate Methyl (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-3,8-dimethyl-5-oxidanyl-2-[(E)-4-oxidanylbut-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoate
Wiley ID 1694403