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18-OXO-3,13E-ClERODIEN-15-OIC-ACID

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18-OXO-3,13E-ClERODIEN-15-OIC-ACID
SpectraBase Compound ID EM54TAoVXzR
InChI InChI=1S/C20H30O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,22,23)/b14-12+/t15-,17-,19+,20+/m1/s1
InChIKey ULLJDGCXCCTKEW-CMOYGFMLSA-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 30D7R8Bn0h2
Name 18-OXO-3,13E-ClERODIEN-15-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,22,23)/b14-12+/t15-,17-,19+,20+/m1/s1
InChIKey ULLJDGCXCCTKEW-CMOYGFMLSA-N
Literature Reference Author L.LAJIDE,P.ESCOUBAS,J.MIZUTANI
Literature Reference Citation PHYTOCHEM.,40,1101(1995)
Literature Reference DOI 10.1016/0031-9422(95)00153-X
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWMS2736