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(1'-S)-1'-O-METHYL-7-CHLOROAVERANTIN

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(1'-S)-1'-O-METHYL-7-CHLOROAVERANTIN
SpectraBase Compound ID FEdo4nuiEhp
InChI InChI=1S/C21H21ClO7/c1-3-4-5-6-13(29-2)16-11(23)7-9-14(20(16)27)19(26)15-10(18(9)25)8-12(24)17(22)21(15)28/h7-8,13,23-24,27-28H,3-6H2,1-2H3/t13-/m0/s1
InChIKey KGTDNRSYXXWABH-ZDUSSCGKSA-N
Mol Weight 420.85 g/mol
Molecular Formula C21H21ClO7
Exact Mass 420.097581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqGL2d0ovdo
Name (1'-S)-1'-O-METHYL-7-CHLOROAVERANTIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClO7
InChI InChI=1S/C21H21ClO7/c1-3-4-5-6-13(29-2)16-11(23)7-9-14(20(16)27)19(26)15-10(18(9)25)8-12(24)17(22)21(15)28/h7-8,13,23-24,27-28H,3-6H2,1-2H3/t13-/m0/s1
InChIKey KGTDNRSYXXWABH-ZDUSSCGKSA-N
Literature Reference Author H.HUANG,F.WANG,M.LUO,Y.CHEN,Y.SONG,W.ZHANG,S.ZHANG,J.JU
Literature Reference Citation J.NAT.PROD.,75,1346(2012)
Literature Reference DOI 10.1021/np3002699
Molecular Weight 420.847 g/mol
Sample ID 41293
Solvent CDCl3:CD3OD