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N,20-O-DIDEMETHYL-ANSAMITOCIN-P3

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N,20-O-DIDEMETHYL-ANSAMITOCIN-P3
SpectraBase Compound ID 76vqjiW3yBn
InChI InChI=1S/C30H39ClN2O9/c1-15(2)27(36)41-23-13-24(35)32-19-11-18(12-20(34)25(19)31)10-16(3)8-7-9-22(39-6)30(38)14-21(40-28(37)33-30)17(4)26-29(23,5)42-26/h7-9,11-12,15,17,21-23,26,34,38H,10,13-14H2,1-6H3,(H,32,35)(H,33,37)/b9-7+,16-8+
InChIKey QKYHJMYXWUEFQV-IAGJPELUSA-N
Mol Weight 607.1 g/mol
Molecular Formula C30H39ClN2O9
Exact Mass 606.234409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ib3mjlsaPPV
Name N,20-O-DIDEMETHYL-ANSAMITOCIN-P3
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39ClN2O9
InChI InChI=1S/C30H39ClN2O9/c1-15(2)27(36)41-23-13-24(35)32-19-11-18(12-20(34)25(19)31)10-16(3)8-7-9-22(39-6)30(38)14-21(40-28(37)33-30)17(4)26-29(23,5)42-26/h7-9,11-12,15,17,21-23,26,34,38H,10,13-14H2,1-6H3,(H,32,35)(H,33,37)/b9-7+,16-8+
InChIKey QKYHJMYXWUEFQV-IAGJPELUSA-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 607.101 g/mol
Sample ID 35465
Solvent CD3OD