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(E)-5-(4-Bromobut-2-enyloxy)-1-hydroxy-3-(2-methylbut-3-yn-2-yloxy)-6-(2-methylbut-3-en-2-yloxy)-9H-xanthen-9-one
SpectraBase Compound ID 1rM6NDh4C3F
InChI InChI=1S/C27H27BrO6/c1-7-26(3,4)33-17-15-19(29)22-21(16-17)32-24-18(23(22)30)11-12-20(34-27(5,6)8-2)25(24)31-14-10-9-13-28/h1,8-12,15-16,29H,2,13-14H2,3-6H3/b10-9+
InChIKey XBOWQCRBMPKQKA-MDZDMXLPSA-N
Mol Weight 527.41 g/mol
Molecular Formula C27H27BrO6
Exact Mass 526.099102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ie4Pu2n6e6d
Name (E)-5-(4-Bromobut-2-enyloxy)-1-hydroxy-3-(2-methylbut-3-yn-2-yloxy)-6-(2-methylbut-3-en-2-yloxy)-9H-xanthen-9-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27BrO6
InChI InChI=1S/C27H27BrO6/c1-7-26(3,4)33-17-15-19(29)22-21(16-17)32-24-18(23(22)30)11-12-20(34-27(5,6)8-2)25(24)31-14-10-9-13-28/h1,8-12,15-16,29H,2,13-14H2,3-6H3/b10-9+
InChIKey XBOWQCRBMPKQKA-MDZDMXLPSA-N
Instrument Name Shimadzu GCMS-2010
Ionization Type EI
Literature Reference DOI 10.1021/jm301593r
Molecular Weight 527.411 g/mol
SMILES Oc1cc(cc2c1C(c1c(c(OC\C=C\CBr)c(cc1)OC(C=C)(C)C)O2)=O)OC(C#C)(C)C
SPLASH splash10-01t9-0921000000-5bb6526de5e6afc41046
Source of Spectrum AF-56-SM10-37
Wiley ID 1854447