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SERINOCYCLIN_A;CYCLO-(ACC-HYP-SER-1-HYLYS-BETA-ALA-SER-2-SER-3)
SpectraBase Compound ID DOFH8uphMnP
InChI InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/p+1/t13-,14+,15+,16+,17-,18-,19-/m0/s1
InChIKey RBBMDAKGTMLVAP-LPJTWDLVSA-O
Mol Weight 673.7 g/mol
Molecular Formula C27H45N8O12
Exact Mass 673.315694 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yDVDBOMAM6
Name SERINOCYCLIN_A;CYCLO-(ACC-HYP-SER-1-HYLYS-BETA-ALA-SER-2-SER-3)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45N8O12
InChI InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/p+1/t13-,14+,15+,16+,17-,18-,19-/m0/s1
InChIKey RBBMDAKGTMLVAP-LPJTWDLVSA-O
Literature Reference Author S.B.KRASNOFF,I.KERESZTES,R.E.GILLILAN,D.M.E.SZEBENYI,B.G.G.D ONZELLI,A.C.L.CHURCH
Literature Reference Citation J.NAT.PROD.,70,1919(2007)
Literature Reference DOI 10.1021/np070407i
Solvent HET
Source File Reference UWMZ31179