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(1S,5R)-5,8,8-Trimethyl-1-[(1R)-1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID 4HEOEy1mQj1
InChI InChI=1S/C28H33NO3/c1-18-9-8-10-19(2)22(18)23-21-12-7-6-11-20(21)13-16-29(23)24(30)28-15-14-27(5,26(28,3)4)17-32-25(28)31/h6-12,23H,13-17H2,1-5H3/t23-,27+,28+/m1/s1
InChIKey HTIYENGMZOAOQJ-UIUQJESISA-N
Mol Weight 431.6 g/mol
Molecular Formula C28H33NO3
Exact Mass 431.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3eV1ZUwj4o
Name (1S,5R)-5,8,8-Trimethyl-1-[(1R)-1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl]-3-oxabicyclo[3.2.1]octan-2-one
Alternate Name(s) (1S,5R)-1-[((1R)-1-(2,6-dimethylphenyl)-3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-5,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
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Formula C28H33NO3
InChI InChI=1S/C28H33NO3/c1-18-9-8-10-19(2)22(18)23-21-12-7-6-11-20(21)13-16-29(23)24(30)28-15-14-27(5,26(28,3)4)17-32-25(28)31/h6-12,23H,13-17H2,1-5H3/t23-,27+,28+/m1/s1
InChIKey HTIYENGMZOAOQJ-UIUQJESISA-N
Molecular Weight 431.576 g/mol
SMILES [C@]12(C(OC[C@](CC2)(C1(C)C)C)=O)C(=O)N1[C@](c2c(CC1)cccc2)(c1c(cccc1C)C)[H]
SPLASH splash10-000i-0090000000-032d6e36bebd03c22ddb
Source of Spectrum O1-61-319-16
Wiley ID 1592349