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1,4-DIHYDROXY-(2E),(6E),(12E)-TRIEN-5-ONE-CASBANE
SpectraBase Compound ID 9yIKH6kd1JX
InChI InChI=1S/C20H30O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h7,10-11,15-18,21-22H,6,8-9H2,1-5H3/b12-7+,13-11+,14-10+/t15-,16+,17+,18+/m0/s1
InChIKey NGYQHXUVEHURAE-GAESXXKJSA-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 KnZ4zzLtbMg
Name 1,4-DIHYDROXY-(2E),(6E),(12E)-TRIEN-5-ONE-CASBANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h7,10-11,15-18,21-22H,6,8-9H2,1-5H3/b12-7+,13-11+,14-10+/t15-,16+,17+,18+/m0/s1
InChIKey NGYQHXUVEHURAE-GAESXXKJSA-N
Literature Reference Author H.S.SANTOS,F.M.R.MESQUITA,T.L.G.LEMOS,F.J.Q.MONTE,R.BRAZ-FIL HO
Literature Reference Citation QUIM.NOVA,31,601(2008)
Literature Reference DOI 10.1590/s0100-40422008000300026
Molecular Weight 318.456 g/mol
Solvent CDCl3
Source File Reference UWBT12041