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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1O5mUIAqy8B
Name HYDROHYDROXYISOCALANONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author S.G.CAO,K.Y.SIM,S.H.GOH
Literature Reference Citation HETEROCYCLES,45,2045(1997)
Literature Reference DOI 10.3987/COM-97-7901
Molecular Weight 442.468 g/mol
Solvent CDCl3
Source File Reference UWCP5731