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SELAGINELLIN-H;7-(HYDROXYMETHYL)-3,3,4-TRIS-(4-HYDROXYLPHENYL)-ISOBENZOFURAN-1(3H)-ONE
SpectraBase Compound ID 2pEuMxlqq4s
InChI InChI=1S/C27H20O6/c28-15-17-3-14-23(16-1-8-20(29)9-2-16)25-24(17)26(32)33-27(25,18-4-10-21(30)11-5-18)19-6-12-22(31)13-7-19/h1-14,28-31H,15H2
InChIKey WPQUIEAOMUTJEF-UHFFFAOYSA-N
Mol Weight 440.45 g/mol
Molecular Formula C27H20O6
Exact Mass 440.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bPK7s9S0pX
Name SELAGINELLIN-H;7-(HYDROXYMETHYL)-3,3,4-TRIS-(4-HYDROXYLPHENYL)-ISOBENZOFURAN-1(3H)-ONE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H20O6
InChI InChI=1S/C27H20O6/c28-15-17-3-14-23(16-1-8-20(29)9-2-16)25-24(17)26(32)33-27(25,18-4-10-21(30)11-5-18)19-6-12-22(31)13-7-19/h1-14,28-31H,15H2
InChIKey WPQUIEAOMUTJEF-UHFFFAOYSA-N
Literature Reference Author Y.CAO,J.J.CHEN,N.H.TAN,Y.P.WU,J.YANG,Q.WANG
Literature Reference Citation MAGN.RES.CHEM.,48,656(2010)
Molecular Weight 440.452 g/mol
Solvent CD3OD
Source File Reference UWIR16739