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

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ChEBI Name 17β-hydroxy-5α-androstane acetate
ChEBI ID CHEBI:79766
ChEBI ASCII Name 17beta-hydroxy-5alpha-androstane acetate
Definition A steroid ester that is 5α-androstane substituted by an acetoxy group at position 17.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H34O2
Net Charge 0
Average Mass 318.49350
Monoisotopic Mass 318.25588
InChI InChI=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
InChIKey QRRJQHVSHGOFLL-MQWPULPWSA-N
SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 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-androstane KEGG COMPOUND
Manual Xref Database
C15264 KEGG COMPOUND
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Registry Numbers Types Sources
1236-49-3 CAS Registry Number ChemIDplus
2470027 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
5742873 PubMed citation Europe PMC
Last Modified
03 March 2015