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BRACHYSTEMIN_I;CYCLO-(PRO-(1)-ALA-(2)-GLY-(3)-PHE-(4)-THR-(5)-THR-(6)-PRO-(7)-TRP-(8))
SpectraBase Compound ID 4UKNlGYKLhg
InChI InChI=1S/C43H55N9O10/c1-23-37(56)45-22-34(55)47-30(19-26-11-5-4-6-12-26)38(57)49-35(24(2)53)41(60)50-36(25(3)54)43(62)52-18-10-16-33(52)40(59)48-31(20-27-21-44-29-14-8-7-13-28(27)29)42(61)51-17-9-15-32(51)39(58)46-23/h4-8,11-14,21,23-25,30-33,35-36,44,53-54H,9-10,15-20,22H2,1-3H3,(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)(H,50,60)/t23-,24?,25?,30-,31-,32-,33-,35-,36-/m0/s1
InChIKey KADRLXHCWSLEIB-CERWQYOQSA-N
Mol Weight 858.0 g/mol
Molecular Formula C43H55N9O10
Exact Mass 857.407189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bqdp7lgxoli
Name BRACHYSTEMIN_I;CYCLO-(PRO-(1)-ALA-(2)-GLY-(3)-PHE-(4)-THR-(5)-THR-(6)-PRO-(7)-TRP-(8))
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H55N9O10
InChI InChI=1S/C43H55N9O10/c1-23-37(56)45-22-34(55)47-30(19-26-11-5-4-6-12-26)38(57)49-35(24(2)53)41(60)50-36(25(3)54)43(62)52-18-10-16-33(52)40(59)48-31(20-27-21-44-29-14-8-7-13-28(27)29)42(61)51-17-9-15-32(51)39(58)46-23/h4-8,11-14,21,23-25,30-33,35-36,44,53-54H,9-10,15-20,22H2,1-3H3,(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)(H,50,60)/t23-,24?,25?,30-,31-,32-,33-,35-,36-/m0/s1
InChIKey KADRLXHCWSLEIB-CERWQYOQSA-N
Literature Reference Author J.ZHAO,L.L.ZHOU,X.LI,H.B.XIAO,F.F.HOU,Y.X.CHENG
Literature Reference Citation J.NAT.PROD.,74,1392(2011)
Literature Reference DOI 10.1021/np200048u
Molecular Weight 857.964 g/mol
Sample ID 38434
Solvent C5D5N