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4-Oxostenine

View entire compound with spectra: 2 MS (GC)

4-Oxostenine
SpectraBase Compound ID 7EKglRuDZ7O
InChI InChI=1S/C17H25NO3/c1-3-10-11-5-4-6-13(19)18-8-7-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1
InChIKey WQTVRIFDQIVHSW-BKQRAYJDSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BET52W5kNel
Name 4-Oxostenine
Alternate Name(s) (-)-4-Oxostenine (7aR,8R,8aS,11S,11aS,11bR,11cR)-8-ethyl-11-methyldodecahydroazepino[3,2,1-hi]furo[3,2-e]indole-4,10-dione
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Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-3-10-11-5-4-6-13(19)18-8-7-12(15(11)18)14-9(2)17(20)21-16(10)14/h9-12,14-16H,3-8H2,1-2H3/t9-,10+,11+,12+,14+,15+,16-/m0/s1
InChIKey WQTVRIFDQIVHSW-BKQRAYJDSA-N
Molecular Weight 291.391 g/mol
SMILES [C@@]12(N3C(=O)CCC[C@@]2([C@]([C@@]2(OC([C@]([C@@]2([C@]1(CC3)[H])[H])(C)[H])=O)[H])(CC)[H])[H])[H]
SPLASH splash10-0006-9630000000-538ed92e53be100f5b84
Source of Spectrum C-117-11112-23
Wiley ID 759357