John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ezo5F2RWAty SpectraBase Spectrum ID=8kR8Ctw906i

(accessed ).
KETTAPEPTIN
SpectraBase Compound ID Ezo5F2RWAty
InChI InChI=1S/C48H78N8O15/c1-13-26(5)37(58)28(7)23-29(8)39-27(6)19-20-48(67,71-39)47(66,14-2)46(65)52-36-38(25(3)4)70-45(64)35(31(10)57)51-40(59)32-17-15-21-49-54(32)41(60)30(9)53(11)42(61)34(24-69-12)56(68)43(62)33-18-16-22-50-55(33)44(36)63/h13,23,25,27-28,30-36,38-39,49-50,57,66-68H,14-22,24H2,1-12H3,(H,51,59)(H,52,65)/b26-13+,29-23+/t27-,28-,30+,31-,32+,33+,34-,35+,36-,38-,39-,47+,48+/m0/s1
InChIKey GXVLICYFXVVWOH-PINDINOBSA-N
Mol Weight 1007.2 g/mol
Molecular Formula C48H78N8O15
Exact Mass 1006.558665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kR8Ctw906i
Name KETTAPEPTIN
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H77N8O15
InChI InChI=1S/C48H78N8O15/c1-13-26(5)37(58)28(7)23-29(8)39-27(6)19-20-48(67,71-39)47(66,14-2)46(65)52-36-38(25(3)4)70-45(64)35(31(10)57)51-40(59)32-17-15-21-49-54(32)41(60)30(9)53(11)42(61)34(24-69-12)56(68)43(62)33-18-16-22-50-55(33)44(36)63/h13,23,25,27-28,30-36,38-39,49-50,57,66-68H,14-22,24H2,1-12H3,(H,51,59)(H,52,65)/b26-13+,29-23+/t27-,28-,30+,31-,32+,33+,34-,35+,36-,38-,39-,47+,48+/m0/s1
InChIKey GXVLICYFXVVWOH-PINDINOBSA-N
Literature Reference Author R.P.MASKEY,S.FOTSO,M.SEVVANA,I.USON,I.GRUEN-WOLLNY,H.LAATSCH
Literature Reference Citation J.ANTIBIOTICS,59,309(2006)
Literature Reference DOI 10.1038/ja.2006.44
Molecular Weight 1006.184 g/mol
Solvent CDCl3
Source File Reference UWMB115
SpectraBase Batch ID 7M2COYieaa2