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53-05-4

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53-05-4 Structure

53-05-4 Structure

Identification	Back Directory
[Name] 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione
[CAS] 53-05-4
[Synonyms] Tetrahydro E Tetrahydrocortisone,Gpr 3β,5β-Tetrahydro Cortisone 5-Pregnan-3a,17a,21-triol-11,20-dione-d5 3α,17,21-Trihydroxy-5β-pregnan- 11,20-dione (3α,5β)-3,17,21-Trihydroxypregnane-11,20-dione 3-A-17,21-TRIHYDROXY-5-BETA-PREGNANE-11,20-DIONE 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione Pregnane-11,20-dione, 3,17,21-trihydroxy-, (3.alpha.,5.beta.)- 3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
[EINECS(EC#)] 200-161-9
[Molecular Formula] C21H32O5
[MDL Number] MFCD00051126
[MOL File] 53-05-4.mol
[Molecular Weight] 364.476

Chemical Properties	Back Directory
[Melting point ] 190°
[alpha ] D25 +85.5° (abs ethanol)
[Boiling point ] 415.66°C (rough estimate)
[density ] 1.0666 (rough estimate)
[refractive index ] 1.6120 (estimate)
[storage temp. ] Refrigerator
[solubility ] Ethanol (Slightly), Methanol (Slightly)
[form ] Solid
[pka] 12.38±0.70(Predicted)
[color ] White to Off-White

Hazard Information	Back Directory
[Chemical Properties] White to Off-White Solid
[Uses] A normal mammalian metabolite of Cortisone (C696500).
[Uses] Cortisone (C696500) derivative.
[Definition] ChEBI: Urocortisone is a 21-hydroxy steroid.
[storage] Store at -20°C

Spectrum Detail	Back Directory
[Spectrum Detail] 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione(53-05-4)MS 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione(53-05-4)¹³CNMR 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione(53-05-4)IR1 3alpha,17,21-trihydroxy-5-beta-pregnane-11,20-dione(53-05-4)IR2

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