Tetrahydrocorticosterone

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Systematic / IUPAC Name: (3α,5β,11β)-3,11,21-Trihydroxypregnan-20-one

ID: Reference6179

Other Names: 3a,5b-Tetrahydrocorticosterone;
5b-Pregnane-3a,11b,21-triol-20-one;
3α,11β,21-Trihydroxy-5β-pregnan-20-one;
3a,11b,21-Trihydroxy-5b-pregnan-20-one;
Pregnan-20-one, 3,11,21-trihydroxy-, (3α,5β,11β)-

Formula: C21H34O4

Class: Endogenous Metabolites

Spectral Data

Tetrahydrocorticosterone 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1156
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/16/2016 11:24:33 AM
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Identificators

InChI InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
InChI Key RHQQHZQUAMFINJ-DTDWNVJFSA-N
Canonical SMILES CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O
CAS 68428
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Other Names 3a,5b-Tetrahydrocorticosterone;
5b-Pregnane-3a,11b,21-triol-20-one;
3α,11β,21-Trihydroxy-5β-pregnan-20-one;
3a,11b,21-Trihydroxy-5b-pregnan-20-one;
Pregnan-20-one, 3,11,21-trihydroxy-, (3α,5β,11β)-

In Other Databases

Wikipedia Tetrahydrocorticosterone
ChEBI CHEBI:9481
PubChem 65553
KEGG C05476
ChemIDPlus 000068428
ChemSpider 58996