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(1R)-1,5-DIHYDROXY-3,8-EPOXY-VALECHLORINE
SpectraBase Compound ID JIeKDUUFdML
InChI InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3/t7-,8-,9+,10-,11-,12+/m0/s1
InChIKey ZTKRNEHDDSFTES-ANNWIZPPSA-N
Mol Weight 290.7 g/mol
Molecular Formula C12H15ClO6
Exact Mass 290.055716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65IaLK2LxIo
Name (1-R,3-R,5-R,7-S,8-R,9-S)-1,5-DIHYDROXY-3,8-EPOXYVALECHLORINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15ClO6
InChI InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3/t7-,8-,9+,10-,11-,12+/m0/s1
InChIKey ZTKRNEHDDSFTES-ANNWIZPPSA-N
Literature Reference Author S.LIN,Y.H.SHEN,Z.X.ZHANG,H.L.LI,L.SHAN,R.H.LIU,X.K.XU,W.D.ZH ANG
Literature Reference Citation J.NAT.PROD.,73,1723(2010)
Literature Reference DOI 10.1021/np100426j
Molecular Weight 290.700 g/mol
Sample ID 36082
Solvent CDCl3