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3,4-SECO-TRACHYLOBANOIC-METHYLESTER

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3,4-SECO-TRACHYLOBANOIC-METHYLESTER
SpectraBase Compound ID 6aB5uHKtCOs
InChI InChI=1S/C21H32O2/c1-13(2)14-6-9-21-11-16-15(20(16,4)12-21)10-17(21)19(14,3)8-7-18(22)23-5/h14-17H,1,6-12H2,2-5H3/t14-,15-,16?,17?,19-,20-,21+/m1/s1
InChIKey MPBHKLGEOJDYPD-RNZOIFPCSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANgAZ8Uiu5e
Name 3,4-SECO-TRACHYLOBANOIC-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(2)14-6-9-21-11-16-15(20(16,4)12-21)10-17(21)19(14,3)8-7-18(22)23-5/h14-17H,1,6-12H2,2-5H3/t14-,15-,16?,17?,19-,20-,21+/m1/s1
InChIKey MPBHKLGEOJDYPD-RNZOIFPCSA-N
Literature Reference Author J.D.MCCHESNEY,A.M.CLARK,E.R.SILVEIRA
Literature Reference Citation J.NAT.PROD.,54,1625(1991)
Literature Reference DOI 10.1021/np50078a021
Molecular Weight 316.484 g/mol
Solvent CDCl3
Source File Reference UWED18041