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CHEBI:79766 - 17β-hydroxy-5α-androstane acetate

ChEBI IDCHEBI:79766
ChEBI Name17β-hydroxy-5α-androstane acetate
Stars
ASCII Name17beta-hydroxy-5alpha-androstane acetate
DefinitionA steroid ester that is 5α-androstane substituted by an acetoxy group at position 17.
Last Modified3 March 2015
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@]3([H])[C@]1([H])CC2
InChIInChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1
InChIKeyQRRJQHVSHGOFLL-MQWPULPWSA-N
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxy-5α-androstane acetate (CHEBI:79766) has parent hydride 5α-androstane (CHEBI:28859)
17β-hydroxy-5α-androstane acetate (CHEBI:79766) is a acetate ester (CHEBI:47622)
17β-hydroxy-5α-androstane acetate (CHEBI:79766) is a androstanoid (CHEBI:50402)
17β-hydroxy-5α-androstane acetate (CHEBI:79766) is a steroid ester (CHEBI:47880)
IUPAC Name 
(5α)-androstan-17β-yl acetate
Synonym  Source
17beta-Acetoxy-5alpha-androstaneKEGG COMPOUND
Manual XrefsDatabases
C15264KEGG COMPOUND
Registry NumbersSources
Reaxys:2470027Reaxys
CAS:1236-49-3ChemIDplus
Citations