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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]nonan-2-one

View entire compound with spectra: 1 MS (GC)

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]nonan-2-one
SpectraBase Compound ID 7VbsoT4mG2v
InChI InChI=1S/C34H52O5/c1-22(14-15-24-19-25(37-10)18-23(2)29(24)38-11)17-26(39-30(36)31(3,4)5)20-33(8)21-27-28(35)13-12-16-34(33,9)32(27,6)7/h14,18-19,26-27H,12-13,15-17,20-21H2,1-11H3/b22-14+/t26-,27+,33-,34-/m1/s1
InChIKey QBNQYDCKHFWPPS-RJDYFAIKSA-N
Mol Weight 540.8 g/mol
Molecular Formula C34H52O5
Exact Mass 540.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cDqeUmKFk
Name 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]nonan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O5
InChI InChI=1S/C34H52O5/c1-22(14-15-24-19-25(37-10)18-23(2)29(24)38-11)17-26(39-30(36)31(3,4)5)20-33(8)21-27-28(35)13-12-16-34(33,9)32(27,6)7/h14,18-19,26-27H,12-13,15-17,20-21H2,1-11H3/b22-14+/t26-,27+,33-,34-/m1/s1
InChIKey QBNQYDCKHFWPPS-RJDYFAIKSA-N
Molecular Weight 540.785 g/mol
SMILES [C@]1([C@]2(C(C)(C)[C@@](C1)(C(=O)CCC2)[H])C)(C[C@](OC(C(C)(C)C)=O)(C\C(=C\Cc1c(c(C)cc(c1)OC)OC)C)[H])C
SPLASH splash10-0006-0900480000-e7efc0ec27b3941fee96
Source of Spectrum J-60-3330-6
Synonyms (3E)-5-(2,5-dimethoxy-3-methylphenyl)-3-methyl-1-[(6,7,9,9-tetramethyl-2-oxobicyclo[4.2.1]non-7-yl)methyl]-3-pentenyl pivalate 2,2-Dimethyl-propionic acid (E)-(R)-5-(2,5-dimethoxy-3-methyl-phenyl)-3-methyl-1-((S)-6,7,9,9-tetramethyl-2-oxo-bicyclo[4.2.1]non-7-ylmethyl)-pent-3-enyl ester
Wiley ID 1404692