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ISOMIGRASTATIN

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ISOMIGRASTATIN
SpectraBase Compound ID H17hDWBQqoG
InChI InChI=1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+
InChIKey TYTDEHCAAKKYOG-MNOLRWOYSA-N
Mol Weight 489.6 g/mol
Molecular Formula C27H39NO7
Exact Mass 489.272653 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2F9iuIXAVor
Name ISOMIGRASTATIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO7
InChI InChI=1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+
InChIKey TYTDEHCAAKKYOG-MNOLRWOYSA-N
Literature Reference Author E.J.WOO,C.M.STARKS,J.R.CARNEY,R.ARSLANIAN,L.CADAPAN,S.ZAVALA ,P.LICARI
Literature Reference Citation J.ANTIBIOTICS,55,141(2002)
Literature Reference DOI 10.7164/antibiotics.55.141
Molecular Weight 489.609 g/mol
Solvent CDCl3
Source File Reference UWSI3837