Aldosterone

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Systematic / IUPAC Name: 11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al

ID: Reference307

Other Names: 11β,21-Dihydroxypregn-4-ene-3,18,20-trione;
Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β)-;
Electrocortin;
Aldocortin;
(+)-Aldosterone ; more

Formula: C21H28O5

Class: Endogenous Metabolites

Spectral Data

Aldosterone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 1196
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 8/6/2020 10:46:33 AM
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Identificators

InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
InChI Key PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Canonical SMILES O=C(CO)C3C2(C=O)CC(O)C4C1(/C(=C\C(=O)CC1)CCC4C2CC3)C
CAS 52391
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Other Names 11β,21-Dihydroxypregn-4-ene-3,18,20-trione;
Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β)-;
Electrocortin;
Aldocortin;
(+)-Aldosterone;
Elektrocortin;
Aldocorten;
Aldocortene;
D-Aldosterone;
Reichstein X;
18-Oxocorticosterone

In Other Databases

ChEBI CHEBI:27584
PubChem 5839
KEGG C01780
ChEMBL CHEMBL273453
ChemIDPlus 000052391
ChemSpider 5633
Wikipedia Aldosterone