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PI-31 [3-O-3'-bidroserone]
SpectraBase Compound ID L02RBXq2nqj
InChI InChI=1S/C22H14O7/c1-9-17(25)11-5-3-7-13(23)15(11)19(27)21(9)29-22-10(2)18(26)12-6-4-8-14(24)16(12)20(22)28/h3-8,23-24H,1-2H3
InChIKey OYEKGHBUFYUDSS-UHFFFAOYSA-N
Mol Weight 390.35 g/mol
Molecular Formula C22H14O7
Exact Mass 390.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6AEKbvUsuR
Name PI-31 [3-O-3'-bidroserone]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14O7
InChI InChI=1S/C22H14O7/c1-9-17(25)11-5-3-7-13(23)15(11)19(27)21(9)29-22-10(2)18(26)12-6-4-8-14(24)16(12)20(22)28/h3-8,23-24H,1-2H3
InChIKey OYEKGHBUFYUDSS-UHFFFAOYSA-N
Molecular Weight 390.347 g/mol
SMILES Oc1c2c(C(C(=C(OC=3C(c4c(cccc4C(C3C)=O)O)=O)C2=O)C)=O)ccc1
SPLASH splash10-00di-0209000000-3906ac59ee2b86382a0a
Source of Spectrum Y1-37-673-3
Wiley ID 1527409