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(5E,5BE)-ALLYL-BICYCLOMYCIN-5A-PROPENOATE
SpectraBase Compound ID 7073m2siuav
InChI InChI=1S/C18H24N2O9/c1-3-8-28-12(22)6-4-5-11-7-9-29-18(13(23)16(2,26)10-21)15(25)19-17(11,27)14(24)20-18/h3-6,13,21,23,26-27H,1,7-10H2,2H3,(H,19,25)(H,20,24)/b6-4+,11-5+/t13?,16?,17-,18+/m0/s1
InChIKey LWXNKKIDIZIQKF-CDRCKNDYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C18H24N2O9
Exact Mass 412.14818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgoGqL4DdDn
Name (5E,5BE)-ALLYL-BICYCLOMYCIN-5A-PROPENOATE
Compound Number 1 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O9
InChI InChI=1S/C18H24N2O9/c1-3-8-28-12(22)6-4-5-11-7-9-29-18(13(23)16(2,26)10-21)15(25)19-17(11,27)14(24)20-18/h3-6,13,21,23,26-27H,1,7-10H2,2H3,(H,19,25)(H,20,24)/b6-4+,11-5+/t13?,16?,17-,18+/m0/s1
InChIKey LWXNKKIDIZIQKF-CDRCKNDYSA-N
Literature Reference Author F.VINCENT,J.SRINIVASAN,A.SANTILLAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,66,2251(2001)
Literature Reference DOI 10.1021/jo0013150
Molecular Weight 412.397 g/mol
Solvent CD3OD
Source File Reference UWLU26273