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(-)-(8R,8aS)-5-(3-Benzyloxypropyl)-8-methyl-6-(p-toluenesulfonyl)-.delta.-(5,6)-indolizidine
SpectraBase Compound ID HDm35wlCPpN
InChI InChI=1S/C26H33NO3S/c1-20-12-14-23(15-13-20)31(28,29)26-18-21(2)24-10-6-16-27(24)25(26)11-7-17-30-19-22-8-4-3-5-9-22/h3-5,8-9,12-15,21,24H,6-7,10-11,16-19H2,1-2H3/t21-,24+/m1/s1
InChIKey IMOXCIZDPGHJLJ-QPPBQGQZSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO3S
Exact Mass 439.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96WsXVV1EMP
Name (-)-(8R,8aS)-5-(3-Benzyloxypropyl)-8-methyl-6-(p-toluenesulfonyl)-.delta.-(5,6)-indolizidine
Alternate Name(s) (8R,8aS)-5-(3-benzyloxypropyl)-8-methyl-6-(p-tolylsulfonyl)-1,2,3,7,8,8a-hexahydroindolizine (8R,8aS)-8-methyl-6-(4-methylphenyl)sulfonyl-5-(3-phenylmethoxypropyl)-1,2,3,7,8,8a-hexahydroindolizine
Comments Less than 3 mono-isotopic peaks
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Formula C26H33NO3S
InChI InChI=1S/C26H33NO3S/c1-20-12-14-23(15-13-20)31(28,29)26-18-21(2)24-10-6-16-27(24)25(26)11-7-17-30-19-22-8-4-3-5-9-22/h3-5,8-9,12-15,21,24H,6-7,10-11,16-19H2,1-2H3/t21-,24+/m1/s1
InChIKey IMOXCIZDPGHJLJ-QPPBQGQZSA-N
Molecular Weight 439.614 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C(N2CCC[C@]2([C@@](C1)(C)[H])[H])CCCOCc1ccccc1
SPLASH splash10-0006-0090000000-243003e2d6ec25a64d3b
Source of Spectrum J-65-4550-20
Wiley ID 1532724