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5.ALPHA.-ANDROSTANE-3,7,11,16-TETRAONE(3,7,16-TRI-O-METHYLOXIME)
SpectraBase Compound ID D34Guu7UfbU
InChI InChI=1S/C22H33N3O4/c1-21-11-15(24-28-4)10-16(21)19-17(25-29-5)9-13-8-14(23-27-3)6-7-22(13,2)20(19)18(26)12-21/h13,16,19-20H,6-12H2,1-5H3/b23-14+,24-15-,25-17+/t13-,16+,19-,20+,21+,22+/m1/s1
InChIKey PSEVBSMEVYHMLP-HKFWSOSVSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H33N3O4
Exact Mass 403.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YXGEMbY3AZ
Name 5.ALPHA.-ANDROSTANE-3,7,11,16-TETRAONE(3,7,16-TRI-O-METHYLOXIME)
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 403.247106551 u
Formula C22H33N3O4
InChI InChI=1S/C22H33N3O4/c1-21-11-15(24-28-4)10-16(21)19-17(25-29-5)9-13-8-14(23-27-3)6-7-22(13,2)20(19)18(26)12-21/h13,16,19-20H,6-12H2,1-5H3/b23-14+,24-15-,25-17+/t13-,16+,19-,20+,21+,22+/m1/s1
InChIKey PSEVBSMEVYHMLP-HKFWSOSVSA-N
Molecular Weight 403.523 g/mol
Nominal Mass 403 u
Number of Peaks 222
SMILES C1\C(C[C@@]2(C\C([C@]3([C@@]4(C\C(C[C@]4(CC([C@@]3([C@]2(C1)C)[H])=O)C)=N/OC)[H])[H])=N\OC)[H])=N/OC
SPLASH splash10-0udi-3794600000-95662c60f402bf20cad3
Source File Reference LMCM-22307-481Q
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTANE-3,7,11,16-TETRONE 3,7,16-TRIS(O-METHYLOXIME) (3E,5R,7E,8S,9S,10S,13S,14S,16Z)-3,7,16-tris(methoxyimino)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-11(2H)-one
Wiley ID 4_1263