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endo-(4aRS,8RS,8aRS)-8a-(Benzyloxycarbonyl)-1-oxo-2-(p-toluenesulfonyl)-8-(trimethylsiloxy)-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
SpectraBase Compound ID 58ruUX8bGgt
InChI InChI=1S/C27H33NO6SSi/c1-20-13-15-23(16-14-20)35(31,32)28-18-17-22-11-8-12-24(34-36(2,3)4)27(22,25(28)29)26(30)33-19-21-9-6-5-7-10-21/h5-10,12-16,22,24H,11,17-19H2,1-4H3/t22-,24-,27-/m0/s1
InChIKey KDYOUWOMYNGQBI-DPPGTGKWSA-N
Mol Weight 527.7 g/mol
Molecular Formula C27H33NO6SSi
Exact Mass 527.179785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZkPArWNEQZ
Name endo-(4aRS,8RS,8aRS)-8a-(Benzyloxycarbonyl)-1-oxo-2-(p-toluenesulfonyl)-8-(trimethylsiloxy)-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
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Formula C27H33NO6SSi
InChI InChI=1S/C27H33NO6SSi/c1-20-13-15-23(16-14-20)35(31,32)28-18-17-22-11-8-12-24(34-36(2,3)4)27(22,25(28)29)26(30)33-19-21-9-6-5-7-10-21/h5-10,12-16,22,24H,11,17-19H2,1-4H3/t22-,24-,27-/m0/s1
InChIKey KDYOUWOMYNGQBI-DPPGTGKWSA-N
Molecular Weight 527.707 g/mol
SMILES c1(S(N2C([C@]3([C@@](O[Si](C)(C)C)(C=CC[C@@]3([H])CC2)[H])C(OCc2ccccc2)=O)=O)(=O)=O)ccc(C)cc1
SPLASH splash10-0a59-9000000000-9a57b229cf7d5652723f
Source of Spectrum F-56-4041-33
Synonyms (4aS,8S,8aS)-2-(4-methylphenyl)sulfonyl-1-oxo-8-trimethylsilyloxy-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid (phenylmethyl) ester benzyl (4aS,8S,8aS)-2-(4-methylphenyl)sulfonyl-1-oxo-8-trimethylsilyloxy-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate benzyl (4aS,8S,8aS)-1-oxo-2-(p-tolylsulfonyl)-8-trimethylsilyloxy-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate (phenylmethyl) (4aS,8S,8aS)-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-8-trimethylsilyloxy-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate
Wiley ID 857264