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CALYCULATINE;7-(S)-HYDROPERPXY-13-BETA-1-(S),11-(R)-DOLABELLA-3-(E),8-(17),12-(18)-TRIENE
SpectraBase Compound ID BoBYazx6Sm7
InChI InChI=1S/C20H30O3/c1-13(2)19-16-8-7-15(4)18(23-22)9-6-14(3)10-11-20(16,5)12-17(19)21/h10,16,18,22H,4,6-9,11-12H2,1-3,5H3/b14-10-
InChIKey LYFGNPGVAPNYLI-UVTDQMKNSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyxS1p3gubS
Name CALYCULATINE;7-(S)-HYDROPERPXY-13-BETA-1-(S),11-(R)-DOLABELLA-3-(E),8-(17),12-(18)-TRIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(2)19-16-8-7-15(4)18(23-22)9-6-14(3)10-11-20(16,5)12-17(19)21/h10,16,18,22H,4,6-9,11-12H2,1-3,5H3/b14-10-
InChIKey LYFGNPGVAPNYLI-UVTDQMKNSA-N
Literature Reference Author W.XIANG,L.C.CHANG
Literature Reference Citation PLANTA.MED.,72,735(2006)
Literature Reference DOI 10.1055/s-2006-931584
Molecular Weight 318.456 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ47463