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Caloxanthone I
SpectraBase Compound ID Qw3vQjWDtq
InChI InChI=1S/C28H30O6/c1-14(2)7-8-17-24-16(10-12-28(5,6)34-24)20(29)19-21(30)18-13-15-9-11-27(3,4)33-23(15)22(31)26(18)32-25(17)19/h7,9-13,19,25,29,31H,8H2,1-6H3
InChIKey FALAEASRORKVFZ-UHFFFAOYSA-N
Mol Weight 462.54 g/mol
Molecular Formula C28H30O6
Exact Mass 462.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKy943vnoHh
Name Caloxanthone I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O6
InChI InChI=1S/C28H30O6/c1-14(2)7-8-17-24-16(10-12-28(5,6)34-24)20(29)19-21(30)18-13-15-9-11-27(3,4)33-23(15)22(31)26(18)32-25(17)19/h7,9-13,19,25,29,31H,8H2,1-6H3
InChIKey FALAEASRORKVFZ-UHFFFAOYSA-N
Molecular Weight 462.542 g/mol
SMILES Oc1c2c(cc3c1OC1C(C(=C4C(=C1CC=C(C)C)OC(C=C4)(C)C)O)C3=O)C=CC(O2)(C)C
SPLASH splash10-00kg-9210800000-6b3a80d3ebbc8846fe37
Source of Spectrum QA-51-433-2
Synonyms 5,12-dihydroxy-2,2,10,10-tetramethyl-14-(3-methylbut-2-en-1-yl)-5a,13a-dihydro-2H,6H,10H-dipyrano[3,2-b:2',3'-i]xanthen-6-one
Wiley ID 1795928