Systematic / IUPAC Name: (3α,5α,11β)-3,11,17,21-Tetrahydroxypregnan-20-one
ID: Reference6169
Other Names:
3α,5α-Tetrahydrocortisol;
3a,5a-Tetrahydrocortisol;
3a-Allotetrahydrocortisol;
5a-Pregnane-3a,11b,17a,21-tetraol-20-one;
5a-Pregnane-3a,11b,17a,21-tetrol-20-one
; more
Formula: C21H34O5
Class: Endogenous Metabolites
5α-Tetrahydrocortisol 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 | 2 |
No. of Spectra | 5675 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 12/14/2016 11:30:26 AM |
InChI | InChI=1S/C21H34O5/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/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1 |
InChI Key | AODPIQQILQLWGS-FDSHTENPSA-N |
Canonical SMILES | CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O |
CAS | 302910 |
Splash | |
Other Names |
3α,5α-Tetrahydrocortisol; 3a,5a-Tetrahydrocortisol; 3a-Allotetrahydrocortisol; 5a-Pregnane-3a,11b,17a,21-tetraol-20-one; 5a-Pregnane-3a,11b,17a,21-tetrol-20-one; 5a-Tetrahydrocortisol; Allo-3α-tetrahydrocortisol; Allo-3a-tetrahydrocortisol; Allocortisol, tetrahydro-; Allopregnane-3α,11β,17α,21-tetrol-20-one; Allopregnane-3a,11b,17a,21-tetrol-20-one; Allopregnane-3a,11b,21-tetrol-20-one; Allotetrahydrocompound F; Allotetrahydrocortisol; Compound F, allotetrahydro-; Cortisol, allotetrahydro-; Kendall'S compound C; Reichstein'S substance C; Tetrahydroallocortisol; Wintersteiner'S compound D; 2-Hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone; 3-α,11-β,17-α,21-Tetrahydroxy-5-α-pregnan-20-one; 3a,11b,17,21-Tetrahydroxy-5a-pregnan-20-one; 3a,11b,17a,21-Tetrahydroxy-5a-pregnan-20-one; 5α-Pregnan-20-one, 3α,11β,17,21-tetrahydroxy-(8CI); Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3α,5α,11β)-(9CI); α-THF; a-THF |
ChEBI | CHEBI:89627 |
PubChem | 92748 |
ChemSpider | 83726 |
HMDb | HMDB00526 |
Wikipedia | Tetrahydrocortisol |
ChemIDPlus | 000302910 |