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

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NEOPYOCHELIN-I-METHYLESTER;(4'S,2''S,4''R)-ISOMER
SpectraBase Compound ID Kl5x2NP03fq
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+/m0/s1
InChIKey DIAXFPTUDWGWKC-COPLHBTASA-N
Mol Weight 338.44 g/mol
Molecular Formula C15H18N2O3S2
Exact Mass 338.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMUDCRjScfS
Name PYOCHELIN-I-METHYLESTER;(4'R,2''R,4''R)-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18N2O3S2
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+/m0/s1
InChIKey DIAXFPTUDWGWKC-COPLHBTASA-N
Literature Reference Author K.L.RINEHART,A.L.STALEY,S.R.WILSON,R.G.ANKENBAUER,C.D.COX
Literature Reference Citation J.ORG.CHEM.,60,2786(1995)
Literature Reference DOI 10.1021/jo00114a029
Molecular Weight 338.440 g/mol
Solvent CDCl3
Source File Reference UWGE836