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ANDROST-4-ENE-11.ALPHA.-OL-3,17-DIONE(3,17-DI-O-METHYLOXIME)
SpectraBase Compound ID B7Ky5bNQbAv
InChI InChI=1S/C21H32N2O3/c1-20-10-9-14(22-25-3)11-13(20)5-6-15-16-7-8-18(23-26-4)21(16,2)12-17(24)19(15)20/h11,15-17,19,24H,5-10,12H2,1-4H3/b22-14+,23-18+/t15-,16-,17+,19+,20-,21-/m0/s1
InChIKey RQTRVGRHWNTDJY-XVMUMPLZSA-N
Mol Weight 360.5 g/mol
Molecular Formula C21H32N2O3
Exact Mass 360.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5H8cUaUHJI
Name ANDROST-4-ENE-11.ALPHA.-OL-3,17-DIONE(3,17-DI-O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 360.241292895 u
Formula C21H32N2O3
InChI InChI=1S/C21H32N2O3/c1-20-10-9-14(22-25-3)11-13(20)5-6-15-16-7-8-18(23-26-4)21(16,2)12-17(24)19(15)20/h11,15-17,19,24H,5-10,12H2,1-4H3/b22-14+,23-18+/t15-,16-,17+,19+,20-,21-/m0/s1
InChIKey RQTRVGRHWNTDJY-XVMUMPLZSA-N
Molecular Weight 360.498 g/mol
Nominal Mass 360 u
Number of Peaks 229
SMILES O[C@@]1(C[C@@]2(\C(CC[C@]2([C@@]2(CCC3=C\C(CC[C@@]3([C@@]12[H])C)=N\OC)[H])[H])=N\OC)C)[H]
SPLASH splash10-03fu-4943000000-8e507ad0a7ef59b3989e
Source File Reference LMCM-35275-948K
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 11-HYDROXYANDROST-4-ENE-3,17-DIONE BIS(O-METHYLOXIME) (1E,3aS,3bS,7E,9aR,9bS,10R,11aS)-11-hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione O,O-dimethyl dioxime
Wiley ID 4_635