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MALONOFUNGIN;(E)-(3R,4S,5S)-5-ACETOXY-2-AMINO-2-CARBOXY-3,4-DIHYDROXY-14-OXO-ICOS-6-ENOIC-ACID
SpectraBase Compound ID B9B2SMd9DWc
InChI InChI=1S/C23H39NO9/c1-3-4-5-10-13-17(26)14-11-8-6-7-9-12-15-18(33-16(2)25)19(27)20(28)23(24,21(29)30)22(31)32/h12,15,18-20,27-28H,3-11,13-14,24H2,1-2H3,(H,29,30)(H,31,32)/b15-12+/t18-,19+,20-/m0/s1
InChIKey XQQYBWNLFNBVHQ-DJLFCHPUSA-N
Mol Weight 473.6 g/mol
Molecular Formula C23H39NO9
Exact Mass 473.262482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZoRlGWuFpt
Name MALONOFUNGIN;(E)-(3R,4S,5S)-5-ACETOXY-2-AMINO-2-CARBOXY-3,4-DIHYDROXY-14-OXO-ICOS-6-ENOIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H39NO9
InChI InChI=1S/C23H39NO9/c1-3-4-5-10-13-17(26)14-11-8-6-7-9-12-15-18(33-16(2)25)19(27)20(28)23(24,21(29)30)22(31)32/h12,15,18-20,27-28H,3-11,13-14,24H2,1-2H3,(H,29,30)(H,31,32)/b15-12+/t18-,19+,20-/m0/s1
InChIKey XQQYBWNLFNBVHQ-DJLFCHPUSA-N
Literature Reference Author N.BEROVA,J.BREINHOLT,G.W.JENSEN,A.KJAER,L.C.LO,K.NAKANISHI,R .I.NIELSEN.C-E-OLSEN
Literature Reference Citation ACTA.CHEM.SCAND.,48,240(1994)
Literature Reference DOI 10.3891/acta.chem.scand.48-0240
Molecular Weight 473.564 g/mol
Solvent CD3OD
Source File Reference UWLU80401