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N-DEMETHYL-DESCHLORO-ANSAMITOCIN-P-3

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N-DEMETHYL-DESCHLORO-ANSAMITOCIN-P-3
SpectraBase Compound ID 9TtwSqNo4It
InChI InChI=1S/C31H42N2O9/c1-17(2)28(35)41-25-15-26(34)32-21-12-20(13-22(14-21)38-6)11-18(3)9-8-10-24(39-7)31(37)16-23(40-29(36)33-31)19(4)27-30(25,5)42-27/h8-10,12-14,17,19,23-25,27,37H,11,15-16H2,1-7H3,(H,32,34)(H,33,36)/b10-8+,18-9+
InChIKey FSDWIYVOBIUDHO-FSTQYXDXSA-N
Mol Weight 586.7 g/mol
Molecular Formula C31H42N2O9
Exact Mass 586.289031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQMeZ6wTVL3
Name N-DEMETHYL-DESCHLORO-ANSAMITOCIN-P-3
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42N2O9
InChI InChI=1S/C31H42N2O9/c1-17(2)28(35)41-25-15-26(34)32-21-12-20(13-22(14-21)38-6)11-18(3)9-8-10-24(39-7)31(37)16-23(40-29(36)33-31)19(4)27-30(25,5)42-27/h8-10,12-14,17,19,23-25,27,37H,11,15-16H2,1-7H3,(H,32,34)(H,33,36)/b10-8+,18-9+
InChIKey FSDWIYVOBIUDHO-FSTQYXDXSA-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 586.682 g/mol
Sample ID 35464
Solvent CD3OD