CHEBI:85899 - 4-pregnen-3β-ol-20-one

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ChEBI Name 4-pregnen-3β-ol-20-one ChEBI ID CHEBI:85899 ChEBI ASCII Name 4-pregnen-3beta-ol-20-one Definition A 3β-hydroxy steroid that is 4-pregnen-3β-ol substituted by an oxo group at position 20. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H32O2 Net Charge 0 Average Mass 316.47760 Monoisotopic Mass 316.24023 InChI InChI=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 InChIKey QWVWXRKHAXWWSV-QGVNFLHTSA-N SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ChEBI Ontology Outgoing 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 Synonyms Sources (3β)-3-hydroxypregn-4-en-20-one IUPAC 3β-hydroxypregn-4-ene-20-one UniProt Registry Number Type Source 3102811 Reaxys Registry Number Reaxys Citation Type Source 12574203 PubMed citation SUBMITTER Last Modified 17 January 2023