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Methyl (1R,4aR,10aR)-6-butyramido-1,4a-dimethyl-7-nitro-1,2,3,4,4a.9,10,10a-octahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 7B3G8K7xqr3
InChI InChI=1S/C22H30N2O5/c1-5-7-19(25)23-16-13-15-14(12-17(16)24(27)28)8-9-18-21(15,2)10-6-11-22(18,3)20(26)29-4/h12-13,18H,5-11H2,1-4H3,(H,23,25)/t18-,21-,22+/m0/s1
InChIKey LYHOBZTZHYVAAX-YUXAGFNASA-N
Mol Weight 402.49 g/mol
Molecular Formula C22H30N2O5
Exact Mass 402.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HztLo1FmJuZ
Name Methyl (1R,4aR,10aR)-6-butyramido-1,4a-dimethyl-7-nitro-1,2,3,4,4a.9,10,10a-octahydrophenanthrene-1-carboxylate
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Formula C22H30N2O5
InChI InChI=1S/C22H30N2O5/c1-5-7-19(25)23-16-13-15-14(12-17(16)24(27)28)8-9-18-21(15,2)10-6-11-22(18,3)20(26)29-4/h12-13,18H,5-11H2,1-4H3,(H,23,25)/t18-,21-,22+/m0/s1
InChIKey LYHOBZTZHYVAAX-YUXAGFNASA-N
Molecular Weight 402.491 g/mol
SMILES N(c1c(N(=O)=O)cc2c([C@@]3(CCC[C@]([C@]3(CC2)[H])(C(=O)OC)C)C)c1)C(=O)CCC
SPLASH splash10-0a4i-4059200000-b5d7bdfcb6a8e1169be7
Source of Spectrum KC-57-1796-6
Synonyms Methyl (4beta,5beta,10alpha)-12-(butyrylamino)-13-nitropodocarpa-8,11,13-trien-15-oate
Wiley ID 1623110