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(1S,5R)-5,8,8-Trimethyl-1-[(1S)-8-methyl-1-(2,6-dimethylphenyl)-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one

View entire compound with spectra: 1 MS (GC)

(1S,5R)-5,8,8-Trimethyl-1-[(1S)-8-methyl-1-(2,6-dimethylphenyl)-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID T4I4cehSRD
InChI InChI=1S/C29H33NO3/c1-18-9-7-10-19(2)22(18)24-23-20(3)11-8-12-21(23)13-16-30(24)25(31)29-15-14-28(6,27(29,4)5)17-33-26(29)32/h7-13,16,24H,14-15,17H2,1-6H3/t24-,28-,29-/m0/s1
InChIKey PUTNRNFNXLUXFF-GHPJVDHGSA-N
Mol Weight 443.6 g/mol
Molecular Formula C29H33NO3
Exact Mass 443.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1g14Lgqpmf
Name (1S,5R)-5,8,8-Trimethyl-1-[(1S)-8-methyl-1-(2,6-dimethylphenyl)-1,2-dihydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
Alternate Name(s) (1S,5R)-1-{[(1S)-1-(2,6-dimethylphenyl)-8-methylisoquinolinyl]carbonyl}-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33NO3
InChI InChI=1S/C29H33NO3/c1-18-9-7-10-19(2)22(18)24-23-20(3)11-8-12-21(23)13-16-30(24)25(31)29-15-14-28(6,27(29,4)5)17-33-26(29)32/h7-13,16,24H,14-15,17H2,1-6H3/t24-,28-,29-/m0/s1
InChIKey PUTNRNFNXLUXFF-GHPJVDHGSA-N
Molecular Weight 443.587 g/mol
SMILES [C@@]12(C(N3[C@](c4c(cccc4C=C3)C)(c3c(cccc3C)C)[H])=O)C([C@@](C)(CC1)COC2=O)(C)C
SPLASH splash10-000m-0329500000-8f4afdf20c64699a6619
Source of Spectrum O1-61-316-14
Wiley ID 1592352