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17beta-Acetoxy-spiro[5alpha-androstan-3,1'-cyclopropan]-2',2'-dicarbonitrile
SpectraBase Compound ID 52sksFCtPx1
InChI InChI=1S/C25H34N2O2/c1-16(28)29-21-7-6-19-18-5-4-17-12-24(13-25(24,14-26)15-27)11-10-22(17,2)20(18)8-9-23(19,21)3/h17-21H,4-13H2,1-3H3/t17-,18-,19-,20-,21-,22-,23-,24?/m0/s1
InChIKey ONKYKMOERGHOET-FRBBPBPFSA-N
Mol Weight 394.6 g/mol
Molecular Formula C25H34N2O2
Exact Mass 394.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8DHErOaUXz
Name 17beta-Acetoxy-spiro[5alpha-androstan-3,1'-cyclopropan]-2',2'-dicarbonitrile
Alternate Name(s) (5S,8R,9S,10S,13S,14S,17S)-2',2'-dicyano-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,1'-cyclopropan]-17-yl acetate
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Formula C25H34N2O2
InChI InChI=1S/C25H34N2O2/c1-16(28)29-21-7-6-19-18-5-4-17-12-24(13-25(24,14-26)15-27)11-10-22(17,2)20(18)8-9-23(19,21)3/h17-21H,4-13H2,1-3H3/t17-,18-,19-,20-,21-,22-,23-,24?/m0/s1
InChIKey ONKYKMOERGHOET-FRBBPBPFSA-N
Molecular Weight 394.559 g/mol
SMILES C1C[C@]2([C@](CC11C(C#N)(C#N)C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(C)=O)[H])[H])C)[H])[H])[H])C
SPLASH splash10-001i-0329000000-152c16914823ee75d191
Source of Spectrum K-111-3103-18a
Wiley ID 1794271