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2-Pyrrolidinone, 3-hydroxy-1-methyl-5-[[[(4-methylphenyl)sulfonyl]oxy]phenylmethyl]-4-phenyl-, [3R-[3.alpha.,4.beta.,5.alpha.(S*)]]-

View entire compound with spectra: 1 MS (GC)

2-Pyrrolidinone, 3-hydroxy-1-methyl-5-[[[(4-methylphenyl)sulfonyl]oxy]phenylmethyl]-4-phenyl-, [3R-[3.alpha.,4.beta.,5.alpha.(S*)]]-
SpectraBase Compound ID 6klm4WzjUqd
InChI InChI=1S/C25H25NO5S/c1-17-13-15-20(16-14-17)32(29,30)31-24(19-11-7-4-8-12-19)22-21(18-9-5-3-6-10-18)23(27)25(28)26(22)2/h3-16,21-24,27H,1-2H3/t21-,22-,23+,24-/m0/s1
InChIKey XWJCBYFQZLXEFG-XQUALCHDSA-N
Mol Weight 451.54 g/mol
Molecular Formula C25H25NO5S
Exact Mass 451.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dWCMNXXRN8
Name 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-[[[(4-methylphenyl)sulfonyl]oxy]phenylmethyl]-4-phenyl-, [3R-[3.alpha.,4.beta.,5.alpha.(S*)]]-
CAS Registry Number 130202-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO5S
InChI InChI=1S/C25H25NO5S/c1-17-13-15-20(16-14-17)32(29,30)31-24(19-11-7-4-8-12-19)22-21(18-9-5-3-6-10-18)23(27)25(28)26(22)2/h3-16,21-24,27H,1-2H3/t21-,22-,23+,24-/m0/s1
InChIKey XWJCBYFQZLXEFG-XQUALCHDSA-N
Molecular Weight 451.537 g/mol
SMILES O[C@]1(C(N([C@@]([C@@]1(c1ccccc1)[H])([C@@](OS(c1ccc(cc1)C)(=O)=O)(c1ccccc1)[H])[H])C)=O)[H]
SPLASH splash10-0006-2960000000-8f552fa4fe621c2846ad
Source of Spectrum F-46-3140-11
Synonyms (3R,4S,5R,7S)-{N-methyl-3-hydroxy-4-phenyl-5-[(7-phenyl-7-tosyloxy)methyl]}tetrahydro-pyrrole-2-one (S)-[(2S,3S,4R)-4-hydroxy-1-methyl-5-oxo-3-phenylpyrrolidinyl](phenyl)methyl 4-methylbenzenesulfonate 7-O-tosylneoclausenamide
Wiley ID 1387966