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CAS No 302-91-0 , Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5a,11b)-

  • Name: Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5a,11b)-
  • Synonyms: 3a,11b,17a,21-Tetrahydroxy-5a-pregnan-20-one; a-THF; allo-Tetrahydrocortisol;Cortisol, allotetrahydro-; 5a-Pregnane-3a,11b,17a,21-tetrol-20-one; ATHF; 5a-Tetrahydrocortisol;5a-Pregnan-20-one, 3a,11b,17,21-tetrahydroxy- (8CI); Allotetrahydrocortisol; 5a-Pregnane-3a,11b,17a,21-tetraol-20-one; Allo-3a-tetrahydrocortisol; Reichstein'ssubstance C; Allotetrahydrocompound F; Kendall's compound C;Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5a,11b)-; 3a,11b,17,21-Tetrahydroxy-5a-pregnan-20-one; AL 3308; Allopregnane-3a,11b,17a,21-tetrol-20-one; NSC 86469; Wintersteiner's compound D; 3a,5a-Tetrahydrocortisol;
  • CAS Registry Number:
  • Melting Point: 244.5 °C
  • Flash Point: 297.6°C
  • Boiling Point: 545.1°Cat760mmHg
  • Density: 1.253g/cm3
  • Refractive index: 1.579
  • Safety Statements: WGK Germany 3
  • Flash Point: 297.6°C
  • EINECS: 206-131-1
  • Molecular Weight: 366.49
  • InChI: InChI=1/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
  • Molecular Formula: C21H34 O5
  • Molecular Structure:CAS No:302-91-0 Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5a,11b)-

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302-91-0 ALLOPREGNANE-3A,11BETA,17A,21-TETROL-20-ONE

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References of Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3a,5a,11b)-
Title: Allopregnane-3a,11b,17a,21-tetrol-20-one
CAS Registry Number: 302-91-0
CAS Name: (3a,5a,11b)-3,11,17,21-Tetrahydroxypregnan-20-one
Synonyms: 3a,11b,17,21-tetrahydroxy-5a-pregnan-20-one; 3a,11b,17,21-tetrahydroxy-20-oxo-5a-pregnane; 17-(1-keto-2-hydroxyethyl)androstane-3,11,17-triol; 3a-allotetrahydrocortisol; Kendall's compound C; Reichstein's substance C; Wintersteiner's compound D
Molecular Formula: C21H34O5
Molecular Weight: 366.49
Percent Composition: C 68.82%, H 9.35%, O 21.83%
Literature References: Isoln from adrenal cortex: Mason et al., J. Biol. Chem. 124, 459 (1938); Kuizenga, Cartland, Endocrinology 24, 526 (1939); v. Euw, Reichstein, Helv. Chim. Acta 25, 988 (1942); v. Euw et al., ibid. 41, 1516 (1958). Prepn by hydrogenation of cortisol with rhodium: Caspi, J. Org. Chem. 24, 669 (1959); from bismethylenedioxyhydrocortisone: Fukushima, Daum, ibid. 26, 520 (1961).
Properties: Crystals from methanol, mp 244-245°. [a]D21 +59.7° (c = 0.34 in methanol).
Melting point: mp 244-245°
Optical Rotation: [a]D21 +59.7° (c = 0.34 in methanol)
 
Derivative Type: 3,21-Diacetate
Molecular Formula: C25H38O7
Molecular Weight: 450.57
Percent Composition: C 66.64%, H 8.50%, O 24.86%
Properties: Crystals, dec 204-205°. [a]D20 +73.8°; [a]20542 +90.5° (dioxane).
Optical Rotation: [a]D20 +73.8°; [a]20542 +90.5° (dioxane)