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C(6)-S-PHENYL-BICYCLOMYCIN

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C(6)-S-PHENYL-BICYCLOMYCIN
SpectraBase Compound ID 4T5V5sQvmJK
InChI InChI=1S/C18H22N2O6S/c1-11-8-9-26-17(13(22)16(2,25)10-21)14(23)20-18(11,15(24)19-17)27-12-6-4-3-5-7-12/h3-7,13,21-22,25H,1,8-10H2,2H3,(H,19,24)(H,20,23)/t13?,16?,17-,18-/m1/s1
InChIKey ZHOHFKPSNWHBQN-BLYBZDDLSA-N
Mol Weight 394.44 g/mol
Molecular Formula C18H22N2O6S
Exact Mass 394.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJSQWWexpUS
Name C(6)-S-PHENYL-BICYCLOMYCIN
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O6S
InChI InChI=1S/C18H22N2O6S/c1-11-8-9-26-17(13(22)16(2,25)10-21)14(23)20-18(11,15(24)19-17)27-12-6-4-3-5-7-12/h3-7,13,21-22,25H,1,8-10H2,2H3,(H,19,24)(H,20,23)/t13?,16?,17-,18-/m1/s1
InChIKey ZHOHFKPSNWHBQN-BLYBZDDLSA-N
Literature Reference Author A.SANTILLAN,H.G.PARK,X.ZHANG,O.S.LEE,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,61,7756(1996)
Literature Reference DOI 10.1021/jo961003q
Molecular Weight 394.442 g/mol
Solvent CD3OD
Source File Reference UWCS21857