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1,4a-Dimethyl-7-nitro-9-oxo-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid, methyl ester
SpectraBase Compound ID EBIf13wAMuN
InChI InChI=1S/C18H21NO5/c1-17-7-4-8-18(2,16(21)24-3)15(17)10-14(20)12-9-11(19(22)23)5-6-13(12)17/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKey WUYBGCDTOPBTMV-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3y7rl9wMaOt
Name 1,4a-Dimethyl-7-nitro-9-oxo-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid, methyl ester
Alternate Name(s) 1,4a-dimethyl-7-nitro-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester 9-keto-1,4a-dimethyl-7-nitro-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl 1,4a-dimethyl-7-nitro-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl 1,4a-dimethyl-7-nitro-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Methyl 13-nitro-7-oxopodocarpa-8(14),9(11),12-trien-15-oate
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Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-17-7-4-8-18(2,16(21)24-3)15(17)10-14(20)12-9-11(19(22)23)5-6-13(12)17/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKey WUYBGCDTOPBTMV-UHFFFAOYSA-N
Molecular Weight 331.368 g/mol
SMILES C(=O)(C1(C2C(CCC1)(C)c1c(C(=O)C2)cc(cc1)N(=O)=O)C)OC
SPLASH splash10-0601-4591000000-9a968e0ba94929ce5ad1
Wiley ID 1485031