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endo-(4aRS,8RS,8aRS)-8-Acetoxy-8a-(benzyloxycarbonyl)-2-(p-toluenesullfonyl)-1-oxo-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
SpectraBase Compound ID 4cWXvkyOJWy
InChI InChI=1S/C26H27NO7S/c1-18-11-13-22(14-12-18)35(31,32)27-16-15-21-9-6-10-23(34-19(2)28)26(21,24(27)29)25(30)33-17-20-7-4-3-5-8-20/h3-8,10-14,21,23H,9,15-17H2,1-2H3/t21-,23-,26-/m0/s1
InChIKey VHEPURBGHBCPHT-KJOQGJGQSA-N
Mol Weight 497.56 g/mol
Molecular Formula C26H27NO7S
Exact Mass 497.150823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN0Z8NHtBZz
Name endo-(4aRS,8RS,8aRS)-8-Acetoxy-8a-(benzyloxycarbonyl)-2-(p-toluenesullfonyl)-1-oxo-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
Alternate Name(s) exo-(4aRS,8SR,8aRS)-8-Acetoxy-8a-(benzyloxycarbonyl)-2-(p-toluenesullfonyl)-1-oxo-1,2,3,4,4a,5,8,8a-octahydroisoquinoline (4aS,8S,8aS)-8-acetyloxy-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid (phenylmethyl) ester benzyl (4aS,8S,8aS)-8-acetyloxy-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate benzyl (4aS,8S,8aS)-8-acetoxy-1-oxo-2-(p-tolylsulfonyl)-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate (phenylmethyl) (4aS,8S,8aS)-8-acetyloxy-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate
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Formula C26H27NO7S
InChI InChI=1S/C26H27NO7S/c1-18-11-13-22(14-12-18)35(31,32)27-16-15-21-9-6-10-23(34-19(2)28)26(21,24(27)29)25(30)33-17-20-7-4-3-5-8-20/h3-8,10-14,21,23H,9,15-17H2,1-2H3/t21-,23-,26-/m0/s1
InChIKey VHEPURBGHBCPHT-KJOQGJGQSA-N
Molecular Weight 497.562 g/mol
SMILES c1(S(N2C([C@]3([C@@](OC(=O)C)(C=CC[C@@]3([H])CC2)[H])C(OCc2ccccc2)=O)=O)(=O)=O)ccc(C)cc1
SPLASH splash10-0006-9100000000-2a0aabc1c42a32f37b4b
Source of Spectrum F-56-4038-31
Wiley ID 857268