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4-HYDROXY-(2E),(6E),(12E)-TRIEN-5-ONE-CASBANE
SpectraBase Compound ID KI1gPgnuK8v
InChI InChI=1S/C20H30O2/c1-13-7-6-8-14(2)11-18(21)19(22)15(3)12-17-16(10-9-13)20(17,4)5/h7,11-12,16-18,21H,6,8-10H2,1-5H3/b13-7+,14-11+,15-12+/t16-,17+,18+/m0/s1
InChIKey ODFFQICAQQKCHG-JIHPZFLFSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALF11rHD4hc
Name 4-HYDROXY-(2E),(6E),(12E)-TRIEN-5-ONE-CASBANE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13-7-6-8-14(2)11-18(21)19(22)15(3)12-17-16(10-9-13)20(17,4)5/h7,11-12,16-18,21H,6,8-10H2,1-5H3/b13-7+,14-11+,15-12+/t16-,17+,18+/m0/s1
InChIKey ODFFQICAQQKCHG-JIHPZFLFSA-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 302.457 g/mol
Solvent CDCl3
Source File Reference UWBT12042