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Ra-vii cyclic hexapeptide

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Ra-vii cyclic hexapeptide
SpectraBase Compound ID Ln585iXNtdi
InChI InChI=1S/C41H50N6O9/c1-23-36(48)43-24(2)39(51)45(4)31(19-26-9-14-29(54-7)15-10-26)38(50)44-25(3)40(52)47(6)33-20-27-11-16-30(17-12-27)56-35-22-28(13-18-34(35)55-8)21-32(37(49)42-23)46(5)41(33)53/h9-18,22-25,31-33H,19-21H2,1-8H3,(H,42,49)(H,43,48)(H,44,50)
InChIKey MBQKTLYFUYNAPZ-UHFFFAOYSA-N
Mol Weight 770.9 g/mol
Molecular Formula C41H50N6O9
Exact Mass 770.363927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97eW48eXx4S
Name Ra-vii cyclic hexapeptide
Comments MAJOR CONFORMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C41H50N6O9
InChI InChI=1S/C41H50N6O9/c1-23-36(48)43-24(2)39(51)45(4)31(19-26-9-14-29(54-7)15-10-26)38(50)44-25(3)40(52)47(6)33-20-27-11-16-30(17-12-27)56-35-22-28(13-18-34(35)55-8)21-32(37(49)42-23)46(5)41(33)53/h9-18,22-25,31-33H,19-21H2,1-8H3,(H,42,49)(H,43,48)(H,44,50)
InChIKey MBQKTLYFUYNAPZ-UHFFFAOYSA-N
Instrument Name Bruker AM-500
Literature Reference H. Morita, K. Kondo, H. Itokawa, Tetrahedron 47, 2757 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3