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[BETA-ME-PRO]-DESTRUXIN-E-CHLOROHYDRIN

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[BETA-ME-PRO]-DESTRUXIN-E-CHLOROHYDRIN
SpectraBase Compound ID 7ZoGmrcgNMH
InChI InChI=1S/C30H50ClN5O8/c1-9-17(4)23-29(42)35(8)24(16(2)3)30(43)34(7)19(6)26(39)32-12-10-22(38)44-21(14-20(37)15-31)28(41)36-13-11-18(5)25(36)27(40)33-23/h16-21,23-25,37H,9-15H2,1-8H3,(H,32,39)(H,33,40)/t17?,18-,19-,20-,21+,23-,24-,25-/m0/s1
InChIKey QWYNOTGFLNERCP-AHZCZDBYSA-N
Mol Weight 644.2 g/mol
Molecular Formula C30H50ClN5O8
Exact Mass 643.334791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAEAqKGMOKG
Name [BETA-ME-PRO]-DESTRUXIN-E-CHLOROHYDRIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50ClN5O8
InChI InChI=1S/C30H50ClN5O8/c1-9-17(4)23-29(42)35(8)24(16(2)3)30(43)34(7)19(6)26(39)32-12-10-22(38)44-21(14-20(37)15-31)28(41)36-13-11-18(5)25(36)27(40)33-23/h16-21,23-25,37H,9-15H2,1-8H3,(H,32,39)(H,33,40)/t17?,18-,19-,20-,21+,23-,24-,25-/m0/s1
InChIKey QWYNOTGFLNERCP-AHZCZDBYSA-N
Literature Reference Author S.P.LIRA,A.M.VITA-MARQUES,M.H.R.SELEGHIM,T.S.BUGNI,D.V.LABAR BERA,L.D.SETTE,S.R.P
Literature Reference Citation J.ANTIBIOTICS,59,553(2006)
Literature Reference DOI 10.1038/ja.2006.76
Molecular Weight 644.209 g/mol
Solvent CD3CN:DMSO-D6=5:1
Source File Reference UWMB32