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CHEBI:60304 - (E)-testosterone-3-CMO-Hist

ChEBI IDCHEBI:60304
ChEBI Name(E)-testosterone-3-CMO-Hist
Stars
ASCII Name(E)-testosterone-3-CMO-Hist
DefinitionThe E (anti) isomer of testosterone-3-CMO-Hist.
Last Modified8 May 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H38N4O3
Net Charge0
Average Mass454.615
Monoisotopic Mass454.29439
SMILES[H][C@@]12CCC3=C/C(=N/OCC(=O)NCCc4cncn4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C26H38N4O3/c1-25-10-7-18(30-33-15-24(32)28-12-9-19-14-27-16-29-19)13-17(25)3-4-20-21-5-6-23(31)26(21,2)11-8-22(20)25/h13-14,16,20-23,31H,3-12,15H2,1-2H3,(H,27,29)(H,28,32)/b30-18+/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKeyJCZWRYDTPWMMKC-IMTWWEEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-testosterone-3-CMO-Hist (CHEBI:60304) is a testosterone-3-CMO-Hist (CHEBI:60303)
IUPAC Name 
2-({(E)-[(3E)-17β-hydroxyandrost-4-en-3-ylidene]amino}oxy)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
Synonym  Source
anti-testosterone-3-CMO-HistChEBI
Registry NumbersSources
Reaxys:8372526Reaxys
Citations