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5.ALPHA.-ANDROSTAN-11.ALPHA.-OL-6,17-DIONE(6,17-DI-O-METHYLOXIME)
SpectraBase Compound ID 6xut22k46Az
InChI InChI=1S/C21H34N2O3/c1-20-10-6-5-7-15(20)16(22-25-3)11-13-14-8-9-18(23-26-4)21(14,2)12-17(24)19(13)20/h13-15,17,19,24H,5-12H2,1-4H3/b22-16-,23-18+/t13-,14-,15+,17+,19+,20-,21-/m0/s1
InChIKey NXUDLUOUVAQXJN-POAOYNPKSA-N
Mol Weight 362.5 g/mol
Molecular Formula C21H34N2O3
Exact Mass 362.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdn6l2lVFk9
Name 5.ALPHA.-ANDROSTAN-11.ALPHA.-OL-6,17-DIONE(6,17-DI-O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 362.256942960 u
Formula C21H34N2O3
InChI InChI=1S/C21H34N2O3/c1-20-10-6-5-7-15(20)16(22-25-3)11-13-14-8-9-18(23-26-4)21(14,2)12-17(24)19(13)20/h13-15,17,19,24H,5-12H2,1-4H3/b22-16-,23-18+/t13-,14-,15+,17+,19+,20-,21-/m0/s1
InChIKey NXUDLUOUVAQXJN-POAOYNPKSA-N
Molecular Weight 362.514 g/mol
Nominal Mass 362 u
Number of Peaks 255
SMILES O[C@@]1(C[C@@]2(\C(CC[C@]2([C@@]2(C\C([C@]3(CCCC[C@@]3([C@@]12[H])C)[H])=N\OC)[H])[H])=N\OC)C)[H]
SPLASH splash10-01q9-4579000000-5b99ea7b35a9c79cdd00
Source File Reference LMCM-12805-830F
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 11-HYDROXYANDROSTANE-6,17-DIONE BIS(O-METHYLOXIME) (1E,3aS,3bS,5Z,5aS,9aS,9bS,10R,11aS)-11-hydroxy-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-6,17(10H,14H)-dione O,O-dimethyl dioxime
Wiley ID 4_818