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(2R,3R,5S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine-2,5-dicarboxylic acid O5-tert-butyl ester O2-(phenylmethyl) ester
SpectraBase Compound ID D3peADC9e17
InChI InChI=1S/C30H33NO7S/c1-21-15-17-24(18-16-21)39(35,36)31-25(27(32)38-29(2,3)4)19-30(34,23-13-9-6-10-14-23)26(31)28(33)37-20-22-11-7-5-8-12-22/h5-18,25-26,34H,19-20H2,1-4H3/t25-,26-,30+/m0/s1
InChIKey NGRYBQWQSZNXFZ-BRWNIOCJSA-N
Mol Weight 551.7 g/mol
Molecular Formula C30H33NO7S
Exact Mass 551.197774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dzMt8K9NCn
Name (2R,3R,5S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine-2,5-dicarboxylic acid O5-tert-butyl ester O2-(phenylmethyl) ester
Alternate Name(s) (2R,3R,5S)-3-hydroxy-3-phenyl-1-tosyl-pyrrolidine-2,5-dicarboxylic acid O2-benzyl ester O5-tert-butyl ester 2-O-benzyl 5-O-tert-butyl (2R,3R,5S)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine-2,5-dicarboxylate O2-benzyl O5-tert-butyl (2R,3R,5S)-3-hydroxy-3-phenyl-1-(p-tolylsulfonyl)pyrrolidine-2,5-dicarboxylate O5-tert-butyl O2-(phenylmethyl) (2R,3R,5S)-1-(4-methylphenyl)sulfonyl-3-oxidanyl-3-phenyl-pyrrolidine-2,5-dicarboxylate
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Formula C30H33NO7S
InChI InChI=1S/C30H33NO7S/c1-21-15-17-24(18-16-21)39(35,36)31-25(27(32)38-29(2,3)4)19-30(34,23-13-9-6-10-14-23)26(31)28(33)37-20-22-11-7-5-8-12-22/h5-18,25-26,34H,19-20H2,1-4H3/t25-,26-,30+/m0/s1
InChIKey NGRYBQWQSZNXFZ-BRWNIOCJSA-N
Molecular Weight 551.654 g/mol
SMILES O[C@@]1([C@@](N(S(c2ccc(cc2)C)(=O)=O)[C@@](C1)(C(OC(C)(C)C)=O)[H])(C(OCc1ccccc1)=O)[H])c1ccccc1
SPLASH splash10-014l-9100000000-4fa57313dd16989f71f7
Source of Spectrum H-79-1860-21
Wiley ID 1405850