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(1R,2S,4S,5S)-2-((1Z,3Z)-1-methoxy-1-oxo-6-methylhepta-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester

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(1R,2S,4S,5S)-2-((1Z,3Z)-1-methoxy-1-oxo-6-methylhepta-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 8B21zr2fYJG
InChI InChI=1S/C20H32O6/c1-7-26-19(22)16-11-14(4)17(24-5)12-20(16,23)15(18(21)25-6)10-8-9-13(2)3/h8-10,13-14,16-17,23H,7,11-12H2,1-6H3/b9-8-,15-10+/t14-,16-,17-,20+/m0/s1
InChIKey FCDOWMWBSLWLTL-MQEPEDDHSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XImy4ekkyz
Name (1R,2S,4S,5S)-2-((1Z,3Z)-1-methoxy-1-oxo-6-methylhepta-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester
Alternate Name(s) ethyl (1R,2S,4S,5S)-2-hydroxy-4-methoxy-2-[(1Z,3Z)-1-(methoxycarbonyl)-5-methyl-1,3-hexadienyl]-5-methylcyclohexanecarboxylate Ethyl 2-(1-methoxy-1-oxo-6-methylhepta-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-7-26-19(22)16-11-14(4)17(24-5)12-20(16,23)15(18(21)25-6)10-8-9-13(2)3/h8-10,13-14,16-17,23H,7,11-12H2,1-6H3/b9-8-,15-10+/t14-,16-,17-,20+/m0/s1
InChIKey FCDOWMWBSLWLTL-MQEPEDDHSA-N
Molecular Weight 368.470 g/mol
SMILES O[C@]1(\C(C(=O)OC)=C\C=C/C(C)C)[C@@](C[C@@]([C@](C1)(OC)[H])(C)[H])(C(=O)OCC)[H]
SPLASH splash10-000i-0090000000-da6389f3f8e8e1c13433
Source of Spectrum KC-1993-1501-48
Wiley ID 778173