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4-ACETOXY-4,5-SECO-CARYPHYLLEN-5-OIC-ACID

View entire compound with spectra: 1 NMR

4-ACETOXY-4,5-SECO-CARYPHYLLEN-5-OIC-ACID
SpectraBase Compound ID HFcJiexHJYI
InChI InChI=1S/C17H28O4/c1-11(6-9-16(19)20)14-10-17(4,5)15(14)8-7-12(2)21-13(3)18/h12,14-15H,1,6-10H2,2-5H3,(H,19,20)/t12?,14-,15-/m1/s1
InChIKey GTIVCJXCQFRIDQ-JENMUQSASA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E48moBsDyrw
Name 4-ACETOXY-4,5-SECO-CARYPHYLLEN-5-OIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-11(6-9-16(19)20)14-10-17(4,5)15(14)8-7-12(2)21-13(3)18/h12,14-15H,1,6-10H2,2-5H3,(H,19,20)/t12?,14-,15-/m1/s1
InChIKey GTIVCJXCQFRIDQ-JENMUQSASA-N
Literature Reference Author L.QUIJANO,A.VASQUEZ,T.RIOS
Literature Reference Citation PHYTOCHEM.,38,1251(1995)
Literature Reference DOI 10.1016/0031-9422(94)00791-Q
Molecular Weight 296.407 g/mol
Solvent CDCl3
Source File Reference UWMS3951