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CHEBI:20659 - 5β-androstane

ChEBI IDCHEBI:20659
ChEBI Name5β-androstane
Stars
ASCII Name5beta-androstane
DefinitionThe 5β-stereoisomer of androstane.
Last Modified7 October 2021
DownloadsMolfile
FormulaC19H32
Net Charge0
Average Mass260.465
Monoisotopic Mass260.25040
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2
InChIInChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyQZLYKIGBANMMBK-DYKIIFRCSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-androstane (CHEBI:20659) is a androstane (CHEBI:35509)
Incoming Relation(s)
17β-hydroxy-5β-androst-1-en-3-one (CHEBI:87331) has functional parent 5β-androstane (CHEBI:20659)
3α-hydroxy-5β-androstan-17-one (CHEBI:28195) has parent hydride 5β-androstane (CHEBI:20659)
epietiocholanolone (CHEBI:89524) has parent hydride 5β-androstane (CHEBI:20659)
16alpha-hydroxyetiocholanolone (CHEBI:746878) is a 5β-androstane (CHEBI:20659)
IUPAC Name 
5β-androstane
Registry NumbersSources
Reaxys:2500892Reaxys