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16-OXO-8-(17),12-(E)-LABDADIEN-15-OIC-ACID
SpectraBase Compound ID FT4NVOelSlk
InChI InChI=1S/C20H30O3/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h7,13,16-17H,1,5-6,8-12H2,2-4H3,(H,22,23)/b15-7+/t16-,17-,20+/m0/s1
InChIKey ZAWWSYIDZKWRAI-OFWUXJPWSA-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 DKNQ36XvGx2
Name 16-OXO-8-(17),12-(E)-LABDADIEN-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/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h7,13,16-17H,1,5-6,8-12H2,2-4H3,(H,22,23)/b15-7+/t16-,17-,20+/m0/s1
InChIKey ZAWWSYIDZKWRAI-OFWUXJPWSA-N
Literature Reference Author B.N.ZHOU,N.J.BAJ,T.E.GLASS,S.MALONE,M.C.M.WERKHOVEN,F.VANTRO ON,J.H.WISSE,D.G.I.K
Literature Reference Citation J.NAT.PROD.,60,1287(1997)
Literature Reference DOI 10.1021/np970233c
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWRU328