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5.ALPHA.-ANDROSTAN-17.ALPHA.-OL-3-ONE(3-O-METHYLOXIME)
SpectraBase Compound ID 7wpmTvhJ3H6
InChI InChI=1S/C20H33NO2/c1-19-10-8-14(21-23-3)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h13,15-18,22H,4-12H2,1-3H3/b21-14+/t13-,15-,16-,17-,18+,19-,20-/m0/s1
InChIKey ZLRNBJQKNLHALG-GJGICGCDSA-N
Mol Weight 319.5 g/mol
Molecular Formula C20H33NO2
Exact Mass 319.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iYrXKobysx
Name 5.ALPHA.-ANDROSTAN-17.ALPHA.-OL-3-ONE(3-O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 319.251129305 u
Formula C20H33NO2
InChI InChI=1S/C20H33NO2/c1-19-10-8-14(21-23-3)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h13,15-18,22H,4-12H2,1-3H3/b21-14+/t13-,15-,16-,17-,18+,19-,20-/m0/s1
InChIKey ZLRNBJQKNLHALG-GJGICGCDSA-N
Molecular Weight 319.489 g/mol
Nominal Mass 319 u
Number of Peaks 109
SMILES O[C@@]1(CC[C@]2([C@@]3(CC[C@]4(C\C(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=N\OC)[H])[H])[H])[H]
SPLASH splash10-0170-9774000000-dab7db17736733f16ead
Source File Reference LMCM-39587-320R
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 17-HYDROXYANDROSTAN-3-ONE O-METHYLOXIME (1R,3aS,3bR,5aS,9aS,9bS,11aS,E)-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one O-methyl oxime
Wiley ID 4_1109