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N-DEMETHYL-DESEPOXY-ANSAMITOCIN-P-3

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N-DEMETHYL-DESEPOXY-ANSAMITOCIN-P-3
SpectraBase Compound ID HteRy49663I
InChI InChI=1S/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+
InChIKey DLTOOYADBZDSAS-ADZAQPLCSA-N
Mol Weight 605.1 g/mol
Molecular Formula C31H41ClN2O8
Exact Mass 604.255144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xnOjHSYfDo
Name N-DEMETHYL-DESEPOXY-ANSAMITOCIN-P-3
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H41ClN2O8
InChI InChI=1S/C31H41ClN2O8/c1-17(2)29(36)41-23-15-27(35)33-22-13-21(14-24(39-6)28(22)32)11-18(3)9-8-10-26(40-7)31(38)16-25(42-30(37)34-31)20(5)12-19(23)4/h8-10,12-14,17,20,23,25-26,38H,11,15-16H2,1-7H3,(H,33,35)(H,34,37)/b10-8+,18-9+,19-12+
InChIKey DLTOOYADBZDSAS-ADZAQPLCSA-N
Literature Reference Author P.SPITELLER,L.BAI,G.SHANG,B.J.CAROLL,T.W.YU,H.G.FLOSS
Literature Reference Citation J.AM.CHEM.SOC.,125,14236(2003)
Literature Reference DOI 10.1021/ja038166y
Molecular Weight 605.128 g/mol
Sample ID 35463
Solvent CD3OD