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PESTALOTIOPSONE_E;(S)-ETHYL_2-(7-HYDROXY-2-(6-HYDROXYHEPTYL)-4-OXO-4-H-CHROMEN-5-YL)-ACETATE
SpectraBase Compound ID JCEuT2iWW1X
InChI InChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKey NRXGHYGIYHFZNK-ZDUSSCGKSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KVRXrHahXj
Name PESTALOTIOPSONE_E;(S)-ETHYL_2-(7-HYDROXY-2-(6-HYDROXYHEPTYL)-4-OXO-4-H-CHROMEN-5-YL)-ACETATE
Compound Number (S)-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-3-25-19(24)10-14-9-15(22)11-18-20(14)17(23)12-16(26-18)8-6-4-5-7-13(2)21/h9,11-13,21-22H,3-8,10H2,1-2H3/t13-/m0/s1
InChIKey NRXGHYGIYHFZNK-ZDUSSCGKSA-N
Literature Reference Author A.M.BEEKMAN,R.A.BARROW
Literature Reference Citation J.NAT.PROD.,76,2054(2013)
Literature Reference DOI 10.1021/np400473u
Molecular Weight 362.423 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ43407