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(3S,4S)-4-[1-(4-Acethylphenyl)ethenyl]-4-methyl-1-[(4-methyphenyl)sulfonyl]-3-pyrrolidinol

View entire compound with spectra: 1 MS (GC)

(3S,4S)-4-[1-(4-Acethylphenyl)ethenyl]-4-methyl-1-[(4-methyphenyl)sulfonyl]-3-pyrrolidinol
SpectraBase Compound ID 7qTWR2JrG3n
InChI InChI=1S/C22H25NO4S/c1-15-5-11-20(12-6-15)28(26,27)23-13-21(25)22(4,14-23)16(2)18-7-9-19(10-8-18)17(3)24/h5-12,21,25H,2,13-14H2,1,3-4H3/t21-,22-/m1/s1
InChIKey VRMCKQFHIZDITJ-FGZHOGPDSA-N
Mol Weight 399.51 g/mol
Molecular Formula C22H25NO4S
Exact Mass 399.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p1OOkr1CGp
Name (3S,4S)-4-[1-(4-Acethylphenyl)ethenyl]-4-methyl-1-[(4-methyphenyl)sulfonyl]-3-pyrrolidinol
Alternate Name(s) 1-(4-(1-((3S,4S)-4-hydroxy-3-methyl-1-tosylpyrrolidin-3-yl)vinyl)phenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO4S
InChI InChI=1S/C22H25NO4S/c1-15-5-11-20(12-6-15)28(26,27)23-13-21(25)22(4,14-23)16(2)18-7-9-19(10-8-18)17(3)24/h5-12,21,25H,2,13-14H2,1,3-4H3/t21-,22-/m1/s1
InChIKey VRMCKQFHIZDITJ-FGZHOGPDSA-N
Literature Reference DOI 10.1021/ol702966j
Molecular Weight 399.505 g/mol
SMILES O[C@@]1(CN(C[C@@]1(C(c1ccc(C(=O)C)cc1)=C)C)S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-5494000000-b064d2576dcd31f366d4
Source of Spectrum A1-10-1047/SMS34-2fB
Wiley ID 1759116