John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GUotnLF8UFy SpectraBase Spectrum ID=1jGziqRe2YO

(accessed ).
N-ACETYLCARBOMETHOXYMETHYLAMINORIMODICIN
SpectraBase Compound ID GUotnLF8UFy
InChI InChI=1S/C44H68N2O16/c1-6-16-30-19-13-11-9-8-10-12-14-20-31(61-43-40(54)38(46-27(4)47)39(53)26(3)59-43)22-35-37(41(55)45-25-36(52)58-5)34(51)24-44(57,62-35)23-29(49)18-15-17-28(48)21-33(50)32(7-2)42(56)60-30/h8-14,20,26,29-35,37-40,43,49-51,53-54,57H,6-7,15-19,21-25H2,1-5H3,(H,45,55)(H,46,47)/b9-8+,12-10+,13-11+,20-14+/t26-,29?,30-,31?,32+,33-,34+,35+,37-,38+,39-,40+,43+,44-/m1/s1
InChIKey ZDLQNURKNJDFLH-CJEGACILSA-N
Mol Weight 881.0 g/mol
Molecular Formula C44H68N2O16
Exact Mass 880.456885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jGziqRe2YO
Name N-ACETYLCARBOMETHOXYMETHYLAMINORIMODICIN
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H68N2O16
InChI InChI=1S/C44H68N2O16/c1-6-16-30-19-13-11-9-8-10-12-14-20-31(61-43-40(54)38(46-27(4)47)39(53)26(3)59-43)22-35-37(41(55)45-25-36(52)58-5)34(51)24-44(57,62-35)23-29(49)18-15-17-28(48)21-33(50)32(7-2)42(56)60-30/h8-14,20,26,29-35,37-40,43,49-51,53-54,57H,6-7,15-19,21-25H2,1-5H3,(H,45,55)(H,46,47)/b9-8+,12-10+,13-11+,20-14+/t26-,29?,30-,31?,32+,33-,34+,35+,37-,38+,39-,40+,43+,44-/m1/s1
InChIKey ZDLQNURKNJDFLH-CJEGACILSA-N
Literature Reference Author P.SOWINSKI,J.PAWLAK,E.BOROWSKI,P.GARIBOLDI
Literature Reference Citation J.ANTIBIOTICS,48,1288(1995)
Literature Reference DOI 10.7164/antibiotics.48.1288
Molecular Weight 881.028 g/mol
Solvent C5D5N:CD3OD=9:1;C=10MG/ML
Source File Reference UWCS25442
SpectraBase Batch ID A3WMMCHN0oM