CHEBI:79754 - 17β-hydroxy-4α-methyl-5α-androstan-3-one

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ChEBI Name 17β-hydroxy-4α-methyl-5α-androstan-3-one
ChEBI ID CHEBI:79754
ChEBI ASCII Name 17beta-hydroxy-4alpha-methyl-5alpha-androstan-3-one
Definition An androstanoid that is 5α-androstane substituted by a methyl group at position 4, a hydroxy group at position 17 and an oxo group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H32O2
Net Charge 0
Average Mass 304.468
Monoisotopic Mass 304.24023
InChI InChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKey XHGXHTGXZKYMDE-VDBAHQDGSA-N
SMILES [C@@]12([C@@]([C@@]3([C@]([C@@H](C(CC3)=O)C)(CC1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])O)C)[H])[H]
ChEBI Ontology
Outgoing 17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) has parent hydride 5α-androstane (CHEBI:28859)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a 3-oxo-5α-steroid (CHEBI:13601)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a 4α-methyl-3-oxosteroid (CHEBI:143570)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a androstanoid (CHEBI:50402)
IUPAC Name
(4α,5α)-17β-hydroxy-4-methylandrostan-3-one
Synonym Source
4,5alpha-Dihydro-4alpha-methyltestosterone KEGG COMPOUND
Manual Xref Database
C15252 KEGG COMPOUND
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Registry Numbers Types Sources
10147-53-2 CAS Registry Number ChemIDplus
2535969 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7701540 PubMed citation Europe PMC
Last Modified
29 July 2019