For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

NEOPYOCHELIN-II-METHYLESTER;(4'S,2''R,4''R)-ISOMER

Compound with spectra: 2 NMR

NEOPYOCHELIN-II-METHYLESTER;(4'S,2''R,4''R)-ISOMER
SpectraBase Compound ID 9Z5ecacNjvV
InChI InChI=1S/C15H18N2O3S2/c1-17-11(15(19)20-2)8-22-14(17)10-7-21-13(16-10)9-5-3-4-6-12(9)18/h3-6,10-11,14,18H,7-8H2,1-2H3/t10-,11+,14?/m1/s1
InChIKey DIAXFPTUDWGWKC-ZAZPPBBNSA-N
Mol Weight 338.44 g/mol
Molecular Formula C15H18N2O3S2
Exact Mass 338.075885 g/mol
Enantiomer InChIKey DIAXFPTUDWGWKC-VJDHTCGKSA-N

View Spectrum of NEOPYOCHELIN-II-METHYLESTER;(4'S,2''R,4''R)-ISOMER

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of NEOPYOCHELIN-II-METHYLESTER;(4'S,2''R,4''R)-ISOMER

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • PYOCHELIN-II-METHYLESTER;(4'R,2''S,4''R)-ISOMER
NEOPYOCHELIN-I-METHYLESTER;(4'S,2''S,4''R)-ISOMER
Methyl (2S,5R,7S)-1-aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicylo[3.3.0]octane-2-carboxylate
cis-2-OXO-(2-PHENYLACETAMIDO)-4-(TRITYLTHIO)-1-AZETIDINEACETIC ACID,METHYL ESTER
cis-2-oxo-3-(2-phenylacetamido)-4-(tritylthio)-1-azetidineacetic acid, methyl ester
L-Cysteine, S,S'-1H-indole-2,3-diylbis[N-benzoyl-, dimethyl ester
(R)-3-(2,2-Dimethylcyclopropyl)-2-oxo-1,2-dihydroquinolin-7-yl 4-bromobenzoate
Methyl 6a-bromo-penicillanate
(2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, methyl ester, (2.alpha.,5.alpha.,6.alpha.)-(.+-.)-
(1S,2S)-1-[N-(2,4,6-Triisopropylphenylsulfonyl)amino]-2-[N-(2-hydroxy-3-methoxybenzylidene)amino]cyclohexane
Title Journal or Book Year
Stereochemical Assignment of the Pyochelins The Journal of Organic Chemistry 1995

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.