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(1R,4aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 5baGzYLAgri
InChI InChI=1S/C21H26O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11-13H,6,9-10H2,1-5H3/t20-,21-/m1/s1
InChIKey SCDKQCRQQLMNBI-NHCUHLMSSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdM9dDgteep
Name (1R,4aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester
Alternate Name(s) (1R,4aR)-7-isopropyl-9-keto-1,4a-dimethyl-3,4-dihydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR)-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aR)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4-dihydro-2H-phenanthrene-1-carboxylate
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Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11-13H,6,9-10H2,1-5H3/t20-,21-/m1/s1
InChIKey SCDKQCRQQLMNBI-NHCUHLMSSA-N
Molecular Weight 326.436 g/mol
SMILES C1=2[C@@](c3ccc(cc3C(C2)=O)C(C)C)(CCC[C@]1(C(=O)OC)C)C
SPLASH splash10-02di-0391000000-1f375276b878cac4e235
Source of Spectrum Y2-25-1096-11
Wiley ID 1547193