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N-Methyl-ra-vii cyclic hexapeptide

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N-Methyl-ra-vii cyclic hexapeptide
SpectraBase Compound ID CeX3yzd2WLj
InChI InChI=1S/C42H52N6O9/c1-24-39(51)45(4)26(3)41(53)46(5)32(20-27-10-15-30(55-8)16-11-27)37(49)44-25(2)40(52)48(7)34-21-28-12-17-31(18-13-28)57-36-23-29(14-19-35(36)56-9)22-33(38(50)43-24)47(6)42(34)54/h10-19,23-26,32-34H,20-22H2,1-9H3,(H,43,50)(H,44,49)
InChIKey RSIXXJFWYUEENK-UHFFFAOYSA-N
Mol Weight 784.9 g/mol
Molecular Formula C42H52N6O9
Exact Mass 784.379577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26VjM4Ym8c2
Name N-Methyl-ra-vii cyclic hexapeptide
Comments MINOR CONFORMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H52N6O9
InChI InChI=1S/C42H52N6O9/c1-24-39(51)45(4)26(3)41(53)46(5)32(20-27-10-15-30(55-8)16-11-27)37(49)44-25(2)40(52)48(7)34-21-28-12-17-31(18-13-28)57-36-23-29(14-19-35(36)56-9)22-33(38(50)43-24)47(6)42(34)54/h10-19,23-26,32-34H,20-22H2,1-9H3,(H,43,50)(H,44,49)
InChIKey RSIXXJFWYUEENK-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