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HYDROHYDROXYISOCALANONE
SpectraBase Compound ID Jpkfys9ou8w
InChI InChI=1S/C27H22O6/c1-27(2,31)19-13-18-24(30)22(23(29)16-11-7-4-8-12-16)26-21(25(18)32-19)17(14-20(28)33-26)15-9-5-3-6-10-15/h3-12,14,19,30-31H,13H2,1-2H3
InChIKey FFHUWYYRYZRADN-UHFFFAOYSA-N
Mol Weight 442.47 g/mol
Molecular Formula C27H22O6
Exact Mass 442.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 461Wg2FUZc
Name 4-Oxidanyl-2-(2-oxidanylpropan-2-yl)-9-phenyl-5-(phenylcarbonyl)-2,3-dihydrofuro[2,3-f]chromen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22O6
InChI InChI=1S/C27H22O6/c1-27(2,31)19-13-18-24(30)22(23(29)16-11-7-4-8-12-16)26-21(25(18)32-19)17(14-20(28)33-26)15-9-5-3-6-10-15/h3-12,14,19,30-31H,13H2,1-2H3
InChIKey FFHUWYYRYZRADN-UHFFFAOYSA-N
Molecular Weight 442.467 g/mol
SMILES Oc1c(c2c(c3c1CC(C(O)(C)C)O3)C(=CC(O2)=O)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a7i-6807900000-beac7eff015928fe983b
Source of Spectrum H1-45-2051-2
Synonyms 5-Benzoyl-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-9-phenyl-2,3-dihydrofuro[2,3-f]chromen-7-one 5-Benzoyl-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-phenyl-2,3-dihydrofuro[2,3-f]chromen-7-one 5-Benzoyl-4-hydroxy-2-(2-hydroxypropan-2-yl)-9-phenyl-2,3-dihydrofuro[2,3-f][1]benzopyran-7-one
Wiley ID 815947