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5-ALPHA,8-ALPHA-(2-OXOKOVALENIC_ACID);5-ALPHA,8-ALPHA-(2-OXOCLERODA-3,13-E-DIEN-15-OIC_ACID)
SpectraBase Compound ID 2FoMOTQw5B6
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-PECOGNCOSA-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 94NIYXC1sIo
Name 5-ALPHA,8-ALPHA-(2-OXOKOVALENIC_ACID);5-ALPHA,8-ALPHA-(2-OXOCLERODA-3,13-E-DIEN-15-OIC_ACID)
Compound Number 2
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-PECOGNCOSA-N
Literature Reference Author A.L.CAVIN,A.E.HAY,A.MARSTON,H.STOECKLI-EVANS,R.SCOPELLITI,D. DIALLO,K.HOSTETTMANN
Literature Reference Citation J.NAT.PROD.,69,768(2006)
Literature Reference DOI 10.1021/np058123q
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWMZ18350