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1.alpha.-[(p-Toluenesulfonyl)oxy]-2.alpha.,3.alpha.-epoxy-4.beta-[(benzyloxycarbonyl)amino]cyclooctane
SpectraBase Compound ID 2pKNfPLpIt2
InChI InChI=1S/C23H27NO6S/c1-16-11-13-18(14-12-16)31(26,27)30-20-10-6-5-9-19(21-22(20)29-21)24-23(25)28-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19-22H,5-6,9-10,15H2,1H3,(H,24,25)/t19-,20-,21+,22-/m0/s1
InChIKey CVJCTCIZMIIYKT-KJJMTIBFSA-N
Mol Weight 445.53 g/mol
Molecular Formula C23H27NO6S
Exact Mass 445.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tGknnnsTZm
Name 1.alpha.-[(p-Toluenesulfonyl)oxy]-2.alpha.,3.alpha.-epoxy-4.beta-[(benzyloxycarbonyl)amino]cyclooctane
Alternate Name(s) (1R,2S,7S,8R)-7-{[(benzyloxy)carbonyl]amino}-9-oxabicyclo[6.1.0]non-2-yl 4-methylbenzenesulfonate 1.alpha.-[(p-Toluenesulfonyl)oxy]-2.alpha.,3.alpha.-epoxy-4..beta.-[(benzyloxycarbonyl)amino]cyclooctane
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Formula C23H27NO6S
InChI InChI=1S/C23H27NO6S/c1-16-11-13-18(14-12-16)31(26,27)30-20-10-6-5-9-19(21-22(20)29-21)24-23(25)28-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19-22H,5-6,9-10,15H2,1H3,(H,24,25)/t19-,20-,21+,22-/m0/s1
InChIKey CVJCTCIZMIIYKT-KJJMTIBFSA-N
Molecular Weight 445.530 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1([C@@]2([C@@](O2)([C@@](OS(c2ccc(cc2)C)(=O)=O)(CCCC1)[H])[H])[H])[H]
SPLASH splash10-05n0-2900000000-c022f32a93b9829bdb8b
Source of Spectrum F-52-11960-26
Wiley ID 798632