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Triphyoquinol A1
SpectraBase Compound ID 5BbuxDBKV2S
InChI InChI=1S/C24H22O4/c1-13-11-18(26)24-16(8-6-10-19(24)27-3)21(13)22-14(2)12-20(28-4)23-15(22)7-5-9-17(23)25/h5-12,25-26H,1-4H3
InChIKey AYNKAHAUNSWSBN-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C24H22O4
Exact Mass 374.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9L9HskvLpux
Name Triphyoquinol A1
Appearance Brown amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O4
InChI InChI=1S/C24H22O4/c1-13-11-18(26)24-16(8-6-10-19(24)27-3)21(13)22-14(2)12-20(28-4)23-15(22)7-5-9-17(23)25/h5-12,25-26H,1-4H3
InChIKey AYNKAHAUNSWSBN-UHFFFAOYSA-N
Instrument Name Bruker micrOTOF-focus
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.6b00439
Molecular Weight 374.436 g/mol
Optical Rotation [a]D20 = +27.1 (c = 0.05, MeOH)
Reported Formula C24H22O4
SMILES Oc1cc(c(-c2c(cc(c3c2cccc3O)OC)C)c2c1c(ccc2)OC)C
SPLASH splash10-00di-0209000000-ee0d3e7cfe7779550715
Source of Spectrum G4-79-2100-3
Wiley ID 1849391