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(3S,4S)-methyl 3-(4-acetoxy-3-methoxyphenyl)-4-(4-methylphenylsulfonamido)-5-oxo-5-phenylpentanoate
SpectraBase Compound ID CMznUkzW0bD
InChI InChI=1S/C28H29NO8S/c1-18-10-13-22(14-11-18)38(33,34)29-27(28(32)20-8-6-5-7-9-20)23(17-26(31)36-4)21-12-15-24(37-19(2)30)25(16-21)35-3/h5-16,23,27,29H,17H2,1-4H3/t23-,27-/m0/s1
InChIKey ZIRBIDWZDUZKHN-HOFKKMOUSA-N
Mol Weight 539.6 g/mol
Molecular Formula C28H29NO8S
Exact Mass 539.161388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGsHVbMN5iD
Name (3S,4S)-methyl 3-(4-acetoxy-3-methoxyphenyl)-4-(4-methylphenylsulfonamido)-5-oxo-5-phenylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO8S
InChI InChI=1S/C28H29NO8S/c1-18-10-13-22(14-11-18)38(33,34)29-27(28(32)20-8-6-5-7-9-20)23(17-26(31)36-4)21-12-15-24(37-19(2)30)25(16-21)35-3/h5-16,23,27,29H,17H2,1-4H3/t23-,27-/m0/s1
InChIKey ZIRBIDWZDUZKHN-HOFKKMOUSA-N
Literature Reference DOI 10.1002/adsc.201200987
Molecular Weight 539.599 g/mol
SMILES N([C@](C(c1ccccc1)=O)([C@](c1cc(c(cc1)OC(C)=O)OC)(CC(OC)=O)[H])[H])S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-03dl-6439100000-6ba953f075e3473613b6
Source of Spectrum ASC-355-653/SM12-syn_7f
Wiley ID 1761949