ChemicalBook--->CAS DataBase List--->53-02-1

53-02-1

53-02-1 Structure

53-02-1 Structure
IdentificationBack Directory
[Name]

TETRAHYDROCORTISOL
[CAS]

53-02-1
[Synonyms]

ba2682
C05472
SOLVENT A
tetrahydrof
UROCORTISOL
Allo-3&alpha
AKOS BBS-00004225
TETRAHYDROCORTISOL
TETRAHYDROFURAN-215
TETRAMETHYLENE OXIDE
1,4-DIETHYLENE OXIDE
5β-Tetrahydrocortisol
Tetrahydrofuran, p.a.
5β-Tetrahydrocortisol
Tetrahydrocortisole D7
Tetrahydrofuran, 99.9%
-tetrahydro Cortisol-d7
TETRAHYDRO COMPOUND 'F'
TETRAHYDROHYDROCORTISONE
5-beta-tetrahydrocortisol
Tetrahydrofuran solution
SOLVENT A, TETRAHYDROFURAN
SOLVENT A2, TETRAHYDROFURAN
SOLVENT A3, TETRAHYDROFURAN
Tetrahydrocortisol (solution)
Tetrahydrofuran, Water < 50ppm
-tetrahydro Cortisol 3-O-&beta
-tetrahydro Cortisol-d6 (Major)
3Alpha,5Beta-Tetrahydrocortisol
Tetrahydrofuran, Anhydrous, Stabilized
5B-pregnane-3A,11B,17A,21-tetrol-20-one
Tetrahydrocortisol-2,2,3,4,4-d5 solution
Tetrahydrofuran, Water <50 ppm, stabilized
Tetrahydrofuran, Stabilized, water < 50ppm
Allopregnane-3B,11B,17ALPHA,21-tetrol-20-one
5-Pregnan-3a,11,17a,21-tetrol-20-one-9,11a,12-d3
5BETA-PREGNAN-3BETA,11BETA,17ALPHA,21-TETROL-20-ONE
5BETA-PREGNAN-3ALPHA,11BETA,17ALPHA,21-TETROL-20-ONE
5-BETA-PREGNAN-3-ALPHA, 11-BETA, 17,21-TETROL-20-ONE
5beta-Pregnane-3alpha,11beta,17alpha,21-tetrol-20-one
Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3α,5β,11β)-
3-alpha,11-beta,17,21-tetrahydroxy-5-beta-pregnan-20-on
3-alpha,11-beta,17,21-tetrahydroxy-5-beta-pregnan-20-one
3,11,17,21-tetrahydroxy-,(3alpha,5beta,11beta)-pregnan-20-on
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY-5-BETA-PREGNAN-20-ONE
Mobile Phase A for separation of amino acids on ABI sequencers
2-hydroxy-1-(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
[EINECS(EC#)]

200-159-8
[Molecular Formula]

C21H34O5
[MDL Number]

MFCD00067597
[MOL File]

53-02-1.mol
[Molecular Weight]

366.49
Chemical PropertiesBack Directory
[Melting point ]

−108 °C(lit.)
[Boiling point ]

65-67 °C(lit.)
[density ]

0.889 g/mL at 25 °C(lit.)
[vapor density ]

2.5 (vs air)
[vapor pressure ]

114 mm Hg ( 15 °C)
[refractive index ]

n20/D 1.407(lit.)
[Fp ]

1 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Very Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.48±0.70(Predicted)
[color ]

<10(APHA)
[Stability:]

Hygroscopic
[InChIKey]

AODPIQQILQLWGS-GXBDJPPSSA-N
[SMILES]

O=C(CO)[C@@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@@]21C
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

36/37-40
[Safety Statements ]

26-36-36/37
[RIDADR ]

UN 2056 3/PG 2
[WGK Germany ]

1
[RTECS ]

LU5950000
[F ]

3-10-23
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Tetrahydrocortisol is excreted in large amounts in premenopausal patients with early breast cancer. Tetrahydrocortisol has been found to be produced by lymphocytes in both normal and cancer bearing patients however, the concentration of Tetrahydrocortisol has increased in patients with cancer.
[Definition]

ChEBI: Tetrahydrocortisol is a 3alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, a glucocorticoid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a 5beta-pregnane.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

TETRAHYDROCORTISOL(53-02-1)MS
TETRAHYDROCORTISOL(53-02-1)IR1
TETRAHYDROCORTISOL(53-02-1)IR2
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