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(1R*,4AR*,10AS*)-1,4,4A,9,10,10A-HEXAHYDRO-1-HYDROXY-1-(4-METHYLPHENYL)-PHENANTHREN-3-(2H)-ONE
SpectraBase Compound ID CbtT7C8ngfc
InChI InChI=1S/C21H22O2/c1-14-6-9-16(10-7-14)21(23)13-17(22)12-19-18-5-3-2-4-15(18)8-11-20(19)21/h2-7,9-10,19-20,23H,8,11-13H2,1H3/t19-,20-,21-/m1/s1
InChIKey PCUMKGWUPPCKPZ-NJDAHSKKSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhGB7DEHX7
Name (1R*,4AR*,10AS*)-1,4,4A,9,10,10A-HEXAHYDRO-1-HYDROXY-1-(4-METHYLPHENYL)-PHENANTHREN-3-(2H)-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c1-14-6-9-16(10-7-14)21(23)13-17(22)12-19-18-5-3-2-4-15(18)8-11-20(19)21/h2-7,9-10,19-20,23H,8,11-13H2,1H3/t19-,20-,21-/m1/s1
InChIKey PCUMKGWUPPCKPZ-NJDAHSKKSA-N
Literature Reference Author G.DYKER,P.GRUNDT,H.MARKWITZ,G.HENKEL
Literature Reference Citation J.ORG.CHEM.,63,6043(1998)
Literature Reference DOI 10.1021/jo9803535
Molecular Weight 306.404 g/mol
Sample ID 28803
Solvent CDCl3