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2-DEHYDRO-3-DEOXYLAETIPOIC-ACID-A;24-METHYL-25-OXO-HEXACOSA-2,5,7,9,11,13,15,17,19,21,23-UNDECANOIC-ACID
SpectraBase Compound ID FXhe00xRx9s
InChI InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3-,6-4+,9-7+,10-8-,13-11+,14-12+,17-15-,18-16+,21-19+,24-22+,25-23+
InChIKey ZUWHINCAQDXMJU-CENJIFQDSA-N
Mol Weight 402.53 g/mol
Molecular Formula C27H30O3
Exact Mass 402.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2DwFiKA8ip
Name 2-DEHYDRO-3-DEOXYLAETIPOIC-ACID-A;24-METHYL-25-OXO-HEXACOSA-2,5,7,9,11,13,15,17,19,21,23-UNDECANOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O3
InChI InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3-,6-4+,9-7+,10-8-,13-11+,14-12+,17-15-,18-16+,21-19+,24-22+,25-23+
InChIKey ZUWHINCAQDXMJU-CENJIFQDSA-N
Literature Reference Author P.DAVOLI,A.MUCCI,L.SCHENETTI,R.W.S.WEBER
Literature Reference Citation PHYTOCHEM.,66,817(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.01.023
Molecular Weight 402.533 g/mol
Solvent Unknown
Source File Reference UWLU32544