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(1-S,3-R,5-R,7-S,8-R,9-S)-3,8-EPOXY-1-O-METHYL-5-HYDROXYVALECHLORINE

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(1-S,3-R,5-R,7-S,8-R,9-S)-3,8-EPOXY-1-O-METHYL-5-HYDROXYVALECHLORINE
SpectraBase Compound ID AJj4iOkVn8S
InChI InChI=1S/C13H17ClO6/c1-6-10-19-11(17-3)9-12(6,16)4-8(18-7(2)15)13(9,5-14)20-10/h8-11,16H,1,4-5H2,2-3H3/t8-,9-,10-,11-,12-,13+/m0/s1
InChIKey ASVGPKHKCRLGBZ-RHIYVLOFSA-N
Mol Weight 304.73 g/mol
Molecular Formula C13H17ClO6
Exact Mass 304.071366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EQL2xYHx2q
Name (1-S,3-R,5-R,7-S,8-R,9-S)-3,8-EPOXY-1-O-METHYL-5-HYDROXYVALECHLORINE
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17ClO6
InChI InChI=1S/C13H17ClO6/c1-6-10-19-11(17-3)9-12(6,16)4-8(18-7(2)15)13(9,5-14)20-10/h8-11,16H,1,4-5H2,2-3H3/t8-,9-,10-,11-,12-,13+/m0/s1
InChIKey ASVGPKHKCRLGBZ-RHIYVLOFSA-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 304.727 g/mol
Sample ID 36087
Solvent ACETONE-D6