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(4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1-keto-6-methyl-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylic acid O8a-benzyl ester O2-methyl ester
SpectraBase Compound ID 8RaFMzp4ynY
InChI InChI=1S/C26H37NO6Si/c1-18-13-14-26(23(29)32-17-19-11-9-8-10-12-19)20(15-18)21(33-34(6,7)25(2,3)4)16-27(22(26)28)24(30)31-5/h8-13,20-21H,14-17H2,1-7H3/t20-,21-,26+/m1/s1
InChIKey YEYKECKHRFSTDF-YPCDYVTLSA-N
Mol Weight 487.7 g/mol
Molecular Formula C26H37NO6Si
Exact Mass 487.239014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGuIPq1SoOP
Name (4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-1-keto-6-methyl-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylic acid O8a-benzyl ester O2-methyl ester
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Formula C26H37NO6Si
InChI InChI=1S/C26H37NO6Si/c1-18-13-14-26(23(29)32-17-19-11-9-8-10-12-19)20(15-18)21(33-34(6,7)25(2,3)4)16-27(22(26)28)24(30)31-5/h8-13,20-21H,14-17H2,1-7H3/t20-,21-,26+/m1/s1
InChIKey YEYKECKHRFSTDF-YPCDYVTLSA-N
Molecular Weight 487.668 g/mol
SMILES [C@]12(C(N(C(=O)OC)C[C@]([C@]2(CC(=CC1)C)[H])(O[Si](C(C)(C)C)(C)C)[H])=O)C(OCc1ccccc1)=O
SPLASH splash10-0f6x-9004000000-78b2059fec80025cc911
Source of Spectrum F-56-4037-27
Synonyms (4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylic acid O2-methyl ester O8a-(phenylmethyl) ester 8a-O-benzyl 2-O-methyl (4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate O2-methyl O8a-(phenylmethyl) (4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate O8a-benzyl O2-methyl (4S,4aS,8aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-2,8a-dicarboxylate
Wiley ID 857276