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CHINIKOMYCIN_A
SpectraBase Compound ID I7Qvs0rmXnI
InChI InChI=1S/C31H37ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m0/s1
InChIKey ZFIDLGUORHJAKX-RQULPRBKSA-N
Mol Weight 569.1 g/mol
Molecular Formula C31H37ClN2O6
Exact Mass 568.234015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LaIV9j8iHQ
Name CHINIKOMYCIN_A
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H37ClN2O6
InChI InChI=1S/C31H37ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m0/s1
InChIKey ZFIDLGUORHJAKX-RQULPRBKSA-N
Literature Reference Author F.LI,R.P.MASKEY,S.QIN,I.SATTLER,H.H.FIEBIG,A.MAIER,A.ZEECK,H .LAATSCH
Literature Reference Citation J.NAT.PROD.,68,349(2005)
Literature Reference DOI 10.1021/np030518r
Molecular Weight 569.098 g/mol
Solvent DMSO-D6
Source File Reference UWMZ9125