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4,5-DIHYDROXY-OCTA-2,6-DIENOIC-ACID-4-HYDROXY-5-OXOTETRAHYDROFURAN-3-YL-METHYLESTER;MUSACIN-B1
SpectraBase Compound ID HaADhv9yNj7
InChI InChI=1S/C13H18O7/c1-2-3-9(14)10(15)4-5-11(16)19-6-8-7-20-13(18)12(8)17/h2-5,8-10,12,14-15,17H,6-7H2,1H3/b3-2+,5-4+
InChIKey JHQCSIROSIRYBV-MQQKCMAXSA-N
Mol Weight 286.28 g/mol
Molecular Formula C13H18O7
Exact Mass 286.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MSIJVCYt8Y
Name 4,5-DIHYDROXY-OCTA-2,6-DIENOIC-ACID-4-HYDROXY-5-OXOTETRAHYDROFURAN-3-YL-METHYLESTER;MUSACIN-B1
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O7
InChI InChI=1S/C13H18O7/c1-2-3-9(14)10(15)4-5-11(16)19-6-8-7-20-13(18)12(8)17/h2-5,8-10,12,14-15,17H,6-7H2,1H3/b3-2+,5-4+
InChIKey JHQCSIROSIRYBV-MQQKCMAXSA-N
Literature Reference Author A.SCHNEIDER,J.SPAETH,S.BREIDING-MACK,A.ZEECK,S.GRABLEY,R.THI ERICKE
Literature Reference Citation J.ANTIBIOTICS,49,438(1996)
Literature Reference DOI 10.7164/antibiotics.49.438
Molecular Weight 286.282 g/mol
Solvent CD3OD
Source File Reference UWGE1930