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PLAKORTOPEROXIDE_D
SpectraBase Compound ID INh9aiRVk7r
InChI InChI=1S/C25H40O6/c1-4-13-20-15-16-21(29-28-20)14-11-9-7-5-6-8-10-12-17-24(2)19-25(3)22(30-31-24)18-23(26)27-25/h11,14-16,20-22H,4-10,12-13,17-19H2,1-3H3/b14-11+/t20?,21?,22-,24-,25-/m0/s1
InChIKey SURQDOVQHNRVIS-GQNJOTHCSA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uNOCdzTIVL
Name PLAKORTOPEROXIDE_D
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O6
InChI InChI=1S/C25H40O6/c1-4-13-20-15-16-21(29-28-20)14-11-9-7-5-6-8-10-12-17-24(2)19-25(3)22(30-31-24)18-23(26)27-25/h11,14-16,20-22H,4-10,12-13,17-19H2,1-3H3/b14-11+/t20?,21?,22-,24-,25-/m0/s1
InChIKey SURQDOVQHNRVIS-GQNJOTHCSA-N
Literature Reference Author K.W.L.YONG,L.K.LAMBERT,P.Y.HAYES,J.J.DEVOSS,M.J.GARSON
Literature Reference Citation J.NAT.PROD.,75,351(2012)
Literature Reference DOI 10.1021/np200619q
Molecular Weight 436.589 g/mol
Sample ID 40113
Solvent CDCl3