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(1R,4aR,10aR)-1,4a-dimethyl-7-nitro-6-[(2,2,2-trifluoro-1-oxoethyl)amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1R,4aR,10aR)-1,4a-dimethyl-7-nitro-6-[(2,2,2-trifluoro-1-oxoethyl)amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID Fdixln9piqM
InChI InChI=1S/C20H23F3N2O5/c1-18-7-4-8-19(2,17(27)30-3)15(18)6-5-11-9-14(25(28)29)13(10-12(11)18)24-16(26)20(21,22)23/h9-10,15H,4-8H2,1-3H3,(H,24,26)/t15-,18+,19-/m1/s1
InChIKey WKDXSMOOPWJBBQ-AYOQOUSVSA-N
Mol Weight 428.41 g/mol
Molecular Formula C20H23F3N2O5
Exact Mass 428.155906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uWI0E9UmWQ
Name (1R,4aR,10aR)-1,4a-dimethyl-7-nitro-6-[(2,2,2-trifluoro-1-oxoethyl)amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
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Formula C20H23F3N2O5
InChI InChI=1S/C20H23F3N2O5/c1-18-7-4-8-19(2,17(27)30-3)15(18)6-5-11-9-14(25(28)29)13(10-12(11)18)24-16(26)20(21,22)23/h9-10,15H,4-8H2,1-3H3,(H,24,26)/t15-,18+,19-/m1/s1
InChIKey WKDXSMOOPWJBBQ-AYOQOUSVSA-N
Molecular Weight 428.408 g/mol
SMILES N(C(C(F)(F)F)=O)c1c(N(=O)=O)cc2c([C@@]3(CCC[C@]([C@@]3(CC2)[H])(C(=O)OC)C)C)c1
SPLASH splash10-0aou-9003000000-2341e1f2bb2cd4607def
Source of Spectrum KC-57-1796-6
Synonyms (1R,4aR,10aR)-1,4a-dimethyl-7-nitro-6-[(2,2,2-trifluoroacetyl)amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,10aR)-1,4a-dimethyl-7-nitro-6-[(2,2,2-trifluoroacetyl)amino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aR,10aR)-1,4a-dimethyl-7-nitro-6-[2,2,2-tris(fluoranyl)ethanoylamino]-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Wiley ID 1623109