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Isocyclomorusin

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Isocyclomorusin
SpectraBase Compound ID 4n4VnfFEzuJ
InChI InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3
InChIKey UEENYRGPBCHSLB-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C25H22O6
Exact Mass 418.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y8dgOVVZBW
Name Isocyclomorusin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O6
InChI InChI=1S/C25H22O6/c1-12(2)9-18-21-23(28)20-19(11-17-14(22(20)27)7-8-25(3,4)31-17)30-24(21)15-6-5-13(26)10-16(15)29-18/h5-11,18,26-27H,1-4H3
InChIKey UEENYRGPBCHSLB-UHFFFAOYSA-N
Molecular Weight 418.445 g/mol
SMILES Oc1c2c(OC3=C(C(Oc4cc(ccc34)O)C=C(C)C)C2=O)cc2c1C=CC(O2)(C)C
SPLASH splash10-0udi-0001900000-f02bef76f14141f938cd
Source of Spectrum X2-56-1596-1
Wiley ID 1605104