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R176502
SpectraBase Compound ID C24uJVFop5H
InChI InChI=1S/C47H67NO13/c1-11-12-13-14-17-36-31(6)39(59-41(52)22-21-40(51)48-42-34(49)19-20-35(42)50)26-47(56,61-36)33(8)44(54)32(7)45-37(57-9)18-15-16-27(2)23-29(4)43(53)30(5)24-28(3)25-38(58-10)46(55)60-45/h12-18,21-22,24-25,29-33,36-37,39,43-45,49,53-54,56H,11,19-20,23,26H2,1-10H3,(H,48,51)/b13-12+,17-14+,18-15+,22-21+,27-16+,28-24+,38-25-/t29?,30-,31-,32+,33?,36?,37?,39?,43+,44?,45-,47-/m1/s1
InChIKey JXMDVHROXKUEAM-XUUQFJBFSA-N
Mol Weight 854.0 g/mol
Molecular Formula C47H67NO13
Exact Mass 853.461241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0ImOywQwZb
Name R176502
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H67NO13
InChI InChI=1S/C47H67NO13/c1-11-12-13-14-17-36-31(6)39(59-41(52)22-21-40(51)48-42-34(49)19-20-35(42)50)26-47(56,61-36)33(8)44(54)32(7)45-37(57-9)18-15-16-27(2)23-29(4)43(53)30(5)24-28(3)25-38(58-10)46(55)60-45/h12-18,21-22,24-25,29-33,36-37,39,43-45,49,53-54,56H,11,19-20,23,26H2,1-10H3,(H,48,51)/b13-12+,17-14+,18-15+,22-21+,27-16+,28-24+,38-25-/t29?,30-,31-,32+,33?,36?,37?,39?,43+,44?,45-,47-/m1/s1
InChIKey JXMDVHROXKUEAM-XUUQFJBFSA-N
Literature Reference Author J.A.LAAKSO,U.M.MOCEK,J.VANDUN,W.WOUTERS,M.JANICOT
Literature Reference Citation J.ANTIBIOTICS,56,909(2003)
Literature Reference DOI 10.7164/antibiotics.56.909
Molecular Weight 854.048 g/mol
Solvent ACETONE-D6
Source File Reference UWKP3019