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1,5-Dihydroxy-6-(2-methylbut-3-en-2-yloxy)-3-(2-methylbut-3-yn-2-yloxy)-9H-xanthen-9-one
SpectraBase Compound ID IsnV7fPsEXQ
InChI InChI=1S/C23H22O6/c1-7-22(3,4)28-13-11-15(24)18-17(12-13)27-21-14(19(18)25)9-10-16(20(21)26)29-23(5,6)8-2/h1,8-12,24,26H,2H2,3-6H3
InChIKey CQPULXHRICXDOQ-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C23H22O6
Exact Mass 394.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JBlcHtOjht
Name 1,5-Dihydroxy-6-(2-methylbut-3-en-2-yloxy)-3-(2-methylbut-3-yn-2-yloxy)-9H-xanthen-9-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O6
InChI InChI=1S/C23H22O6/c1-7-22(3,4)28-13-11-15(24)18-17(12-13)27-21-14(19(18)25)9-10-16(20(21)26)29-23(5,6)8-2/h1,8-12,24,26H,2H2,3-6H3
InChIKey CQPULXHRICXDOQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2010
Ionization Type EI
Literature Reference DOI 10.1021/jm301593r
Molecular Weight 394.423 g/mol
SMILES Oc1c2c(C(c3c(cc(cc3O)OC(C#C)(C)C)O2)=O)ccc1OC(C=C)(C)C
SPLASH splash10-00or-3009000000-cc62bbc9e5c570151d90
Source of Spectrum AF-56-SM4-10
Wiley ID 1854409