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2,4-CIS-SQUAMOXINONE

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2,4-CIS-SQUAMOXINONE
SpectraBase Compound ID 7tOOIIrBN1m
InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30-,31?,32+,33-,34-,35-,36-/m1/s1
InChIKey JQYLOYZQPAYVNC-RNEFZDSKSA-N
Mol Weight 624.9 g/mol
Molecular Formula C37H68O7
Exact Mass 624.496505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBLtVzsYTWJ
Name 2,4-CIS-SQUAMOXINONE
Compound Number 3-CIS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H68O7
InChI InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-14-16-21-31(39)20-15-12-13-17-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30-,31?,32+,33-,34-,35-,36-/m1/s1
InChIKey JQYLOYZQPAYVNC-RNEFZDSKSA-N
Literature Reference Author D.C.HOPP,F.Q.ALALI,Z.M.GU,J.L.MCLAUGHLIN
Literature Reference Citation PHYTOCHEM.,47,803(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00822-4
Molecular Weight 624.943 g/mol
Solvent CDCl3
Source File Reference UWMS245