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CHEBI:85899 - 4-pregnen-3β-ol-20-one

ChEBI IDCHEBI:85899
ChEBI Name4-pregnen-3β-ol-20-one
Stars
ASCII Name4-pregnen-3beta-ol-20-one
DefinitionA 3β-hydroxy steroid that is 4-pregnen-3β-ol substituted by an oxo group at position 20.
Last Modified17 January 2023
Submitternhn
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILES[H][C@@]12CCC3=C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,15-19,23H,4-11H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyQWVWXRKHAXWWSV-QGVNFLHTSA-N
ChEBI Ontology
Outgoing Relation(s)
4-pregnen-3β-ol-20-one (CHEBI:85899) has functional parent progesterone (CHEBI:17026)
4-pregnen-3β-ol-20-one (CHEBI:85899) is a 20-oxo steroid (CHEBI:36885)
4-pregnen-3β-ol-20-one (CHEBI:85899) is a 3β-hydroxy steroid (CHEBI:36836)
4-pregnen-3β-ol-20-one (CHEBI:85899) is a C21-steroid (CHEBI:61313)
IUPAC Name 
3β-hydroxypregn-4-ene-20-one
Synonym  Source
(3β)-3-hydroxypregn-4-en-20-oneIUPAC
UniProt Name  Source
3β-hydroxypregn-4-ene-20-oneUniProt
Registry NumbersSources
Reaxys:3102811Reaxys
Citations