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(1-S,3-R,5-R,7-S,8-R,9-S)-3,8-EPOXY-1-O-ETHYL-5-HYDROXYVALECHLORINE
SpectraBase Compound ID 8CybtGa5Aoa
InChI InChI=1S/C14H19ClO6/c1-4-18-12-10-13(17)5-9(19-8(3)16)14(10,6-15)21-11(20-12)7(13)2/h9-12,17H,2,4-6H2,1,3H3/t9-,10-,11-,12-,13-,14+/m0/s1
InChIKey NRJFYYSNYKMATB-LQSBQDLSSA-N
Mol Weight 318.75 g/mol
Molecular Formula C14H19ClO6
Exact Mass 318.087016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMKmFPRkEsX
Name (1-S,3-R,5-R,7-S,8-R,9-S)-3,8-EPOXY-1-O-ETHYL-5-HYDROXYVALECHLORINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19ClO6
InChI InChI=1S/C14H19ClO6/c1-4-18-12-10-13(17)5-9(19-8(3)16)14(10,6-15)21-11(20-12)7(13)2/h9-12,17H,2,4-6H2,1,3H3/t9-,10-,11-,12-,13-,14+/m0/s1
InChIKey NRJFYYSNYKMATB-LQSBQDLSSA-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 318.754 g/mol
Sample ID 36085
Solvent CDCl3