CHEBI:30834 - aldosterone hemiacetal

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ChEBI Name aldosterone hemiacetal
ChEBI ID CHEBI:30834
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O5
Net Charge 0
Average Mass 360.44402
Monoisotopic Mass 360.19367
InChI InChI=1S/C21H28O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h8,13-15,17-19,22,25H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21+/m0/s1
InChIKey QUQBHBRVKLEOEI-UBWIUKTRSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H]3C[C@]12C(O)O3)C(=O)CO
ChEBI Ontology
Outgoing aldosterone hemiacetal (CHEBI:30834) has functional parent aldosterone (CHEBI:27584)
aldosterone hemiacetal (CHEBI:30834) is a 20-oxo steroid (CHEBI:36885)
aldosterone hemiacetal (CHEBI:30834) is a 21-hydroxy steroid (CHEBI:35344)
aldosterone hemiacetal (CHEBI:30834) is a 3-oxo-Δ4 steroid (CHEBI:47909)
aldosterone hemiacetal (CHEBI:30834) is a primary α-hydroxy ketone (CHEBI:139590)
IUPAC Name
18ξ,21-dihydroxy-11β,18-epoxypregn-4-ene-3,20-dione
Synonyms Sources
11β,18-epoxy-18,21-dihydroxypregn-4-ene-3,20-dione ChemIDplus
11β,18-epoxy-18ξ-hydroxypregn-4-ene-3,20-dione JCBN
11beta-18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione KEGG COMPOUND
18,11-hemiacetal of 11β,21-dihydroxy-3,20-dioxopregn-4-en-18-al JCBN
3,20-Diketo-11-beta,18-oxido-4-pregnene-18,21-diol ChemIDplus
aldosterone JCBN
Manual Xref Database
C18039 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1329990 Beilstein Registry Number Beilstein
6251-69-0 CAS Registry Number ChemIDplus
Last Modified
06 February 2018