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
Tetrahydrocorticosterone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
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)- |
Wikipedia | Tetrahydrocorticosterone |
ChEBI | CHEBI:9481 |
PubChem | 65553 |
KEGG | C05476 |
ChemIDPlus | 000068428 |
ChemSpider | 58996 |