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(4aR)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
SpectraBase Compound ID 5eAjvxSzDR8
InChI InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17?,20-/m0/s1
InChIKey ATHWSPHADLLZSS-OZBJMMHXSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VdkHnZVvf1
Name (4aR)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Compound Number 52
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17?,20-/m0/s1
InChIKey ATHWSPHADLLZSS-OZBJMMHXSA-N
Literature Reference Author J.M.M.DELCORRAL,M.GORDALIZA,M.A.SALINERO,A.SANFELICIANO
Literature Reference Citation MAGN.RES.CHEM.,32,774(1994)
Literature Reference DOI 10.1002/mrc.1260321211
Molecular Weight 316.441 g/mol
Solvent CDCl3
Source File Reference UWGE209