John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3IPdMXAgv5J SpectraBase Spectrum ID=1K8qpKkWoJm

(accessed ).
SECOTRIDENTOGUINONE
SpectraBase Compound ID 3IPdMXAgv5J
InChI InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,20,27,30-31H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m1/s1
InChIKey LMPXRFSQUGGHBD-NEUPFZBPSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K8qpKkWoJm
Name SECOTRIDENTOGUINONE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21(25(30)23(19)28)20(26(4,5)31)15-13-18(3)11-7-9-16/h8,11-12,20,27,30-31H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m1/s1
InChIKey LMPXRFSQUGGHBD-NEUPFZBPSA-N
Literature Reference Author M.LANG,E.JAEGERS,K.POLBORN,W.STEGLICH
Literature Reference Citation J.NAT.PROD.,72,214(2009)
Literature Reference DOI 10.1021/np8007073
Molecular Weight 428.569 g/mol
Sample ID 32161
Solvent CDCl3
SpectraBase Batch ID CoRFyDUGIGY