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COCHLIOMYCIN_A
SpectraBase Compound ID BMueXQUJxOh
InChI InChI=1S/C22H28O7/c1-13-7-5-10-18-20(29-22(2,3)28-18)16(23)9-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8,10-13,16,18,20,23-24H,7,9H2,1-4H3/b8-6+,10-5+/t13-,16-,18-,20-/m0/s1
InChIKey JMSMAQNHTBWNAJ-PRPVSCSDSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fdx5pPlnaCh
Name COCHLIOMYCIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-13-7-5-10-18-20(29-22(2,3)28-18)16(23)9-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8,10-13,16,18,20,23-24H,7,9H2,1-4H3/b8-6+,10-5+/t13-,16-,18-,20-/m0/s1
InChIKey JMSMAQNHTBWNAJ-PRPVSCSDSA-N
Literature Reference Author C.L.SHAO,H.X.WU,C.Y.WANG,Q.A.LIU,Y.XU,M.Y.WEI,P.Y.QIAN,Y.C.G U,C.J.ZHENG,Z.G.SHE,
Literature Reference Citation J.NAT.PROD.,74,629(2011)
Literature Reference DOI 10.1021/np100641b
Molecular Weight 404.460 g/mol
Sample ID 37391
Solvent CDCl3