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CAS No 520-86-5 , Pregnane-3,17,20-triol,(3b,5a,20R)- (9CI)

  • Name: Pregnane-3,17,20-triol,(3b,5a,20R)- (9CI)
  • Synonyms: Allopregnane-3b,17a,20b-triol; 5a-Pregnane-3b,17a,20b-triol;5a-Pregnane-3b,17,20b-triol (7CI,8CI);Pregnane-3,17,20-triol,(3b,5a,20R)- (9CI); Reichstein's substance J;
  • CAS Registry Number:
  • Flash Point: 208.2°C
  • Boiling Point: 469.9°Cat760mmHg
  • Density: 1.123g/cm3
  • Refractive index: 1.551
  • Flash Point: 208.2°C
  • EINECS: 208-299-1
  • Molecular Weight: 336.51
  • InChI: InChI=1/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1
  • Molecular Formula: C21H36 O3
  • Molecular Structure:CAS No:520-86-5 Pregnane-3,17,20-triol,(3b,5a,20R)- (9CI)

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References of Pregnane-3,17,20-triol,(3b,5a,20R)- (9CI)
Title: Allopregnane-3b,17a,20b-triol
CAS Registry Number: 520-86-5
CAS Name: 5a-Pregnane-3b,17,20b-triol
Synonyms: 3b,17,20b-trihydroxy-5a-pregnane; 17-(1-hydroxyethyl)androstane-3,17-diol; Reichstein's substance J
Molecular Formula: C21H36O3
Molecular Weight: 336.51
Percent Composition: C 74.95%, H 10.78%, O 14.26%
Literature References: Isoln from adrenal cortex: Reichstein, Helv. Chim. Acta 19, 1126 (1936); Steiger, Reichstein, ibid. 21, 546 (1938). Prepn from 3b-acetoxy-16a,17a-oxido-20-oxo-5-allopregnane: Plattner et al., ibid. 31, 2210 (1948); GB 665254 (1952 to Ciba); from 3b-acetoxy-17a-hydroxyallopregnan-20-one: Fukushima, Meyer, J. Org. Chem. 23, 174 (1958).
Properties: Rhomboid needles from dil acetone, mp 216-217°. Sublimes in high vacuum. [a]D20 -7.9° (c = 1.77 in abs alc).
Melting point: mp 216-217°
Optical Rotation: [a]D20 -7.9° (c = 1.77 in abs alc)
 
Derivative Type: 3,20-Diacetate
Molecular Formula: C25H40O5
Molecular Weight: 420.58
Percent Composition: C 71.39%, H 9.59%, O 19.02%
Properties: Crystals from pentane, mp 161-162°. [a]D20 +24.6° (c = 2.11 in acetone).
Melting point: mp 161-162°
Optical Rotation: [a]D20 +24.6° (c = 2.11 in acetone)
 
 
Status: This monograph has been retired and is no longer subject to revision or update.