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3,4-Epoxy-2-hydroxy-7-[4-methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-(pivaloyloxy)hex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane

View entire compound with spectra: 1 MS (GC)

3,4-Epoxy-2-hydroxy-7-[4-methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-(pivaloyloxy)hex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane
SpectraBase Compound ID 3BdnSfYSbLL
InChI InChI=1S/C29H44O5/c1-17(9-10-19-13-21(32-7)12-18(2)25(19)33-8)11-20(30)14-28(5)15-22-24(31)26-23(34-26)16-29(28,6)27(22,3)4/h9,12-13,20,22-24,26,30-31H,10-11,14-16H2,1-8H3/b17-9+/t20-,22-,23-,24+,26-,28+,29+/m1/s1
InChIKey CMKKWZNYQCEQSU-FNVABQOOSA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PSbjc4RWnR
Name 3,4-Epoxy-2-hydroxy-7-[4-methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-(pivaloyloxy)hex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-17(9-10-19-13-21(32-7)12-18(2)25(19)33-8)11-20(30)14-28(5)15-22-24(31)26-23(34-26)16-29(28,6)27(22,3)4/h9,12-13,20,22-24,26,30-31H,10-11,14-16H2,1-8H3/b17-9+/t20-,22-,23-,24+,26-,28+,29+/m1/s1
InChIKey CMKKWZNYQCEQSU-FNVABQOOSA-N
Molecular Weight 472.666 g/mol
SMILES O[C@@]1([C@]2([C@@](C[C@]3(C([C@@]1(C[C@@]3(C[C@@](C\C(=C\Cc1c(c(C)cc(c1)OC)OC)C)(O)[H])C)[H])(C)C)C)(O2)[H])[H])[H]
SPLASH splash10-00di-0090100000-79832ffa792215b696e2
Source of Spectrum J-60-3331-58
Synonyms (S)-8-[(E)-(R)-6-(2,5-Dimethoxy-3-methyl-phenyl)-2-hydroxy-4-methyl-hex-4-enyl]-7,8,10,10-tetramethyl-4-oxa-tricyclo[5.2.1.0*3,5*]decan-2-ol
Wiley ID 1393458