Tetrahydrocortisone

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Systematic / IUPAC Name: (3α,5β)-3,17,21-Trihydroxypregnane-11,20-dione

ID: Reference6173

Other Names: 5a-Pregnan-3b,17a,21-triol-11,20-dion;
Cortisone, tetrahydro-;
Tetrahydro E ;
Tetrahydrocompound E ;
Tetrahydrocortison ; more

Formula: C21H32O5

Class: Endogenous Metabolites

Spectral Data

Tetrahydrocortisone 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
No. of Spectral Trees 1
No. of Spectra 3567
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/15/2016 8:06:01 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
InChI Key SYGWGHVTLUBCEM-ZIZPXRJBSA-N
Canonical SMILES CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C)O
CAS 53054
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Other Names 5a-Pregnan-3b,17a,21-triol-11,20-dion;
Cortisone, tetrahydro-;
Tetrahydro E ;
Tetrahydrocompound E ;
Tetrahydrocortison;
Tetrahydro-cortisone;
Urocortisone;
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one;
(3a,5b)-3,17,21-Trihydroxy-pregnane-11,20-dione;
3α,17α,21-Trihydroxy-5β-pregnane-11,20-dione;
3α,17,21-Trihydroxypregnane-11,20-dione;
3,17-Dihydroxy-17-hydroxyacetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-11-one;
3a,17,21-Trihydroxy-5a-pregnane-11,20-dione;
3a,17,21-Trihydroxy-5b-pregnane-11,20-dione;
3b,17,21-Trihydroxy-5a-pregnane-11,20-dione;
5β-Pregnane-11,20-dione, 3α,17,21-trihydroxy-;
Pregnane-11,20-dione, 3,17,21-trihydroxy-, (3α,5β)-

In Other Databases

Wikipedia Tetrahydrocortisone
KEGG C05470
ChemIDPlus 000053054
ChEMBL CHEMBL1908043
PubChem 5866
ChemSpider 5657
ChEBI CHEBI:9901