Cortisone

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Systematic / IUPAC Name: 17,21-Dihydroxypregn-4-ene-3,11,20-trione

ID: Reference963

Other Names: 17α-Hydroxy-11-dehydrocorticosterone;
Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-;
Andreson;
Cortisal;
Cortisate ; more

Formula: C21H28O5

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Elite; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 2385
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 1/12/2015 10:23:58 AM
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Identificators

InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChI Key MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Canonical SMILES CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C
CAS 53065
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Other Names 17α-Hydroxy-11-dehydrocorticosterone;
Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-;
Andreson;
Cortisal;
Cortisate;
Cortistal;
Cortivite;
Cortogen;
Cortone;
Adrenalex;
Cortandren;
Cortison;
Pregn-4-en-17α,21-diol-3,11,20-trione;
Kortison

In Other Databases

ChemIDPlus 000053065
Wikipedia Cortisone
PubChem 222786
ChemSpider 193441
ChEBI CHEBI:16962
KEGG C00762; D07749
HMDb HMDB02802
ChEMBL CHEMBL1499