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13E-2-OXO-5-ALPHA,10-BETA-CIS-17-ALPHA,20-ALPHA-CLERODA-3,13-DIENE-15-OIC-ACID;2-OXO-KOLAVENIC-ACID

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13E-2-OXO-5-ALPHA,10-BETA-CIS-17-ALPHA,20-ALPHA-CLERODA-3,13-DIENE-15-OIC-ACID;2-OXO-KOLAVENIC-ACID
SpectraBase Compound ID AyVqlvzFgIg
InChI InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17-,19+,20+/m1/s1
InChIKey SLMFLTPPPXRYHP-OHGCEXCKSA-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 1PLZ0Xq1bNf
Name 2-OXO-3,13E-ClERODIEN-15-OIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17-,19+,20+/m1/s1
InChIKey SLMFLTPPPXRYHP-OHGCEXCKSA-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 UWMS2737