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Ra-vii-H cyclic hexapeptide

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Ra-vii-H cyclic hexapeptide
SpectraBase Compound ID GfQS2BUz9jL
InChI InChI=1S/C41H52N6O9/c1-24-36(49)43-25(2)39(52)45(4)31(20-28-14-17-30(55-7)18-15-28)38(51)44-26(3)40(53)47(6)33(21-27-12-10-9-11-13-27)41(54)46(5)32(37(50)42-24)22-29-16-19-35(56-8)34(48)23-29/h9-19,23-26,31-33,48H,20-22H2,1-8H3,(H,42,50)(H,43,49)(H,44,51)
InChIKey XZRWGEMAXYUUOE-UHFFFAOYSA-N
Mol Weight 772.9 g/mol
Molecular Formula C41H52N6O9
Exact Mass 772.379577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvsuZUAAFY2
Name Ra-vii-H cyclic hexapeptide
Comments MAJOR CONFORMER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C41H52N6O9
InChI InChI=1S/C41H52N6O9/c1-24-36(49)43-25(2)39(52)45(4)31(20-28-14-17-30(55-7)18-15-28)38(51)44-26(3)40(53)47(6)33(21-27-12-10-9-11-13-27)41(54)46(5)32(37(50)42-24)22-29-16-19-35(56-8)34(48)23-29/h9-19,23-26,31-33,48H,20-22H2,1-8H3,(H,42,50)(H,43,49)(H,44,51)
InChIKey XZRWGEMAXYUUOE-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