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METHYL-(3R,5S,12E,14E,17Z)-3,5-DIMETHYL-3,5-PEROXY-DODECA-12,14,17-TRIENOATE

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METHYL-(3R,5S,12E,14E,17Z)-3,5-DIMETHYL-3,5-PEROXY-DODECA-12,14,17-TRIENOATE
SpectraBase Compound ID ihIvF6Zyj1
InChI InChI=1S/C23H38O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)20-23(3,27-26-22)19-21(24)25-4/h6-7,9-12H,5,8,13-20H2,1-4H3/b7-6-,10-9+,12-11+/t22-,23-/m0/s1
InChIKey VQZBTDHEXDPHRH-CRXLOVQSSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRE0j3mrhML
Name METHYL-(3R,5S,12E,14E,17Z)-3,5-DIMETHYL-3,5-PEROXY-DODECA-12,14,17-TRIENOATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)20-23(3,27-26-22)19-21(24)25-4/h6-7,9-12H,5,8,13-20H2,1-4H3/b7-6-,10-9+,12-11+/t22-,23-/m0/s1
InChIKey VQZBTDHEXDPHRH-CRXLOVQSSA-N
Literature Reference Author A.QURESHI,J.SALVA,M.K.HARPER,D.J.FAULKNER
Literature Reference Citation J.NAT.PROD.,61,1539(1998)
Literature Reference DOI 10.1021/np9802724
Molecular Weight 378.552 g/mol
Solvent CDCl3
Source File Reference UWGE1018