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17-.beta.-Hydroxy-6E-hydroximinoandrost-4-en-3-one
SpectraBase Compound ID GCp7pRR1PlJ
InChI InChI=1S/C19H27NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,17,22-23H,3-8,10H2,1-2H3/b20-16+/t12-,13-,14-,17-,18+,19-/m0/s1
InChIKey NMYWNOLKCQNSCX-OTQQBNQMSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8EyvmpfRgN
Name 17-.beta.-Hydroxy-6E-hydroximinoandrost-4-en-3-one
Alternate Name(s) (E)-17.beta.-Hydroxy-6-hydroxyiminoandrost-4-ene-3-one (17beta)-17-hydroxyandrost-4-ene-3,6-dione 6-oxime
Comments Less than 3 mono-isotopic peaks
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Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-18-7-5-11(21)9-15(18)16(20-23)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,17,22-23H,3-8,10H2,1-2H3/b20-16+/t12-,13-,14-,17-,18+,19-/m0/s1
InChIKey NMYWNOLKCQNSCX-OTQQBNQMSA-N
Molecular Weight 317.429 g/mol
SMILES O\N=C/1C[C@@]2([C@](CC[C@@]3([C@](CC[C@@]23[H])(O)[H])C)([C@@]2(C1=CC(CC2)=O)C)[H])[H]
SPLASH splash10-0uxr-0009000000-fd425371105b7ff49432
Source of Spectrum F2-44-2616-14
Wiley ID 1639295