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endo-(4aRS,8RS,8aRS)-8a-(Benzyloxycarbonyl)-8-methoxy-2-(p-toluenesullfonyl)-1-oxo-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
SpectraBase Compound ID YJObNjQ801
InChI InChI=1S/C25H27NO6S/c1-18-11-13-21(14-12-18)33(29,30)26-16-15-20-9-6-10-22(31-2)25(20,23(26)27)24(28)32-17-19-7-4-3-5-8-19/h3-8,10-14,20,22H,9,15-17H2,1-2H3/t20-,22-,25-/m0/s1
InChIKey UAZVDNYECYLRAV-XTJBDQBJSA-N
Mol Weight 469.55 g/mol
Molecular Formula C25H27NO6S
Exact Mass 469.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDleukaPjwg
Name endo-(4aRS,8RS,8aRS)-8a-(Benzyloxycarbonyl)-8-methoxy-2-(p-toluenesullfonyl)-1-oxo-1,2,3,4,4a,5,8,8a-octahydroisoquinoline
Alternate Name(s) (4aS,8S,8aS)-8-methoxy-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylic acid (phenylmethyl) ester benzyl (4aS,8S,8aS)-8-methoxy-2-(4-methylphenyl)sulfonyl-1-oxo-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate benzyl (4aS,8S,8aS)-8-methoxy-1-oxo-2-(p-tolylsulfonyl)-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate (phenylmethyl) (4aS,8S,8aS)-8-methoxy-2-(4-methylphenyl)sulfonyl-1-oxidanylidene-4,4a,5,8-tetrahydro-3H-isoquinoline-8a-carboxylate
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Formula C25H27NO6S
InChI InChI=1S/C25H27NO6S/c1-18-11-13-21(14-12-18)33(29,30)26-16-15-20-9-6-10-22(31-2)25(20,23(26)27)24(28)32-17-19-7-4-3-5-8-19/h3-8,10-14,20,22H,9,15-17H2,1-2H3/t20-,22-,25-/m0/s1
InChIKey UAZVDNYECYLRAV-XTJBDQBJSA-N
Molecular Weight 469.552 g/mol
SMILES c1(S(N2C([C@@]3(C(OCc4ccccc4)=O)[C@](C=CC[C@]3(CC2)[H])(OC)[H])=O)(=O)=O)ccc(C)cc1
SPLASH splash10-0006-9120000000-a9bd6effe492c494c95f
Source of Spectrum F-56-4041-32
Wiley ID 857265