5α-Tetrahydrocortisol

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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

Spectral Data

5α-Tetrahydrocortisol 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 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
View Mass Spec Data > >

Identificators

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

In Other Databases

ChEBI CHEBI:89627
PubChem 92748
ChemSpider 83726
HMDb HMDB00526
Wikipedia Tetrahydrocortisol
ChemIDPlus 000302910