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RAC-(4AR,4BR,10BR,12AS)-1,3,4,4B,10B,11,12,12A-OCTAHYDROBENZO-[A]-PHENANTHREN-4A(2H)-OL
SpectraBase Compound ID 4P0qwmYeEs
InChI InChI=1S/C18H22O/c19-18-12-4-3-6-14(18)9-10-16-15-7-2-1-5-13(15)8-11-17(16)18/h1-2,5,7-8,11,14,16-17,19H,3-4,6,9-10,12H2/t14-,16-,17+,18+/m0/s1
InChIKey YMQDAEPPBYKIIW-DZJNRPSUSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLLyPdE5c9w
Name RAC-(4AR,4BR,10BR,12AS)-1,3,4,4B,10B,11,12,12A-OCTAHYDROBENZO-[A]-PHENANTHREN-4A(2H)-OL
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O
InChI InChI=1S/C18H22O/c19-18-12-4-3-6-14(18)9-10-16-15-7-2-1-5-13(15)8-11-17(16)18/h1-2,5,7-8,11,14,16-17,19H,3-4,6,9-10,12H2/t14-,16-,17+,18+/m0/s1
InChIKey YMQDAEPPBYKIIW-DZJNRPSUSA-N
Literature Reference Author M.BERNDT,I.HLOBILOVA,H.U.REISSIG
Literature Reference Citation ORG.LETTERS,6,957(2004)
Literature Reference DOI 10.1021/ol036456d
Molecular Weight 254.372 g/mol
Sample ID 50249
Solvent CDCl3