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12-O-BENZOYL-LINEOLON
SpectraBase Compound ID 1kHg4NL6yiy
InChI InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21-,22+,23+,25-,26-,27-,28+/m0/s1
InChIKey QYGCNWGDTWSRCZ-XYCCFREGSA-N
Mol Weight 468.6 g/mol
Molecular Formula C28H36O6
Exact Mass 468.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23O2CXEEXFy
Name 12-O-BENZOYL-LINEOLON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O6
InChI InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21-,22+,23+,25-,26-,27-,28+/m0/s1
InChIKey QYGCNWGDTWSRCZ-XYCCFREGSA-N
Literature Reference Author P.RASOANAIVO,N.KANEDA,A.D.KINGHORN,N.R.FARNSWORTH
Literature Reference Citation J.NAT.PROD.,54,1672(1991)
Literature Reference DOI 10.1021/np50078a031
Molecular Weight 468.590 g/mol
Solvent CDCl3
Source File Reference UWED18170