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NEGOMBATOPEROXIDE_B
SpectraBase Compound ID ISkO3H4bQwr
InChI InChI=1S/C13H20O5/c1-9(14)5-4-7-13(3)8-6-11(17-18-13)10(2)12(15)16/h4-5,10-11H,6-8H2,1-3H3,(H,15,16)/b5-4+/t10-,11-,13+/m1/s1
InChIKey PZKCESAKKLDAPK-NIAVUQMZSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5VslsePGWS
Name NEGOMBATOPEROXIDE_B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-9(14)5-4-7-13(3)8-6-11(17-18-13)10(2)12(15)16/h4-5,10-11H,6-8H2,1-3H3,(H,15,16)/b5-4+/t10-,11-,13+/m1/s1
InChIKey PZKCESAKKLDAPK-NIAVUQMZSA-N
Literature Reference Author C.H.CHAO,K.J.CHOU,G.H.WANG,Y.C.WU,L.H.WANG,J.P.CHEN,J.H.SHEU ,P.J.SUNG
Literature Reference Citation J.NAT.PROD.,73,1538(2010)
Literature Reference DOI 10.1021/np100353x
Molecular Weight 256.299 g/mol
Sample ID 36342
Solvent CDCl3