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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 GbHcurRB0D9
Name DELTA(13,14)-2-OXO-KOLAVENIC-ACID;(5R,8R,9S,10R)-2-OXO-ENT-CLEROD-3,13-DIEN-15-OIC-ACID
Compound Number 50
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 A.G.PACHECO,P.M.DEOLIVEIRA,D.PILO-VELOSO,A.F.D.C.ALCANTARA
Literature Reference Citation MOLECULES,14,1245(2009)
Literature Reference DOI 10.3390/molecules14031245
Molecular Weight 318.456 g/mol
Sample ID 69415
Solvent CDCl3