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CAS No 566-56-3 , Pregnane-3,20-diol, (3b,5a,20S)-

  • Name: Pregnane-3,20-diol, (3b,5a,20S)-
  • Synonyms: Pregnanediol IV; UC 1019;Pregnane-3,20-diol, (3b,5a,20S)-;5a-Pregnane-3b,20(S)-diol; Allopregnane-3b,20a-diol; 3b,20a-Dihydroxy-5a-pregnane;5a-Pregnane-3b,20a-diol (8CI);
  • CAS Registry Number:
  • Density: 1.053 g/cm3
  • Refractive index: 1.531
  • EINECS: 209-296-8
  • Molecular Weight: 320.5093
  • InChI: InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
  • Molecular Formula: C21H36 O2
  • Molecular Structure:CAS No:566-56-3 Pregnane-3,20-diol, (3b,5a,20S)-

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566-56-3 Pregnane-3,20-diol, (3b,5a,20S)-

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566-56-3 ALLOPREGNANE-3BETA,20A-DIOL

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References of Pregnane-3,20-diol, (3b,5a,20S)-
Title: Allopregnane-3b,20a-diol
CAS Registry Number: 566-56-3
CAS Name: (3b,5a,20S)-Pregnane-3,20-diol
Synonyms: 5a-pregnane-3b,20a-diol; 3b,20a-dihydroxy-5a-pregnane
Molecular Formula: C21H36O2
Molecular Weight: 320.51
Percent Composition: C 78.69%, H 11.32%, O 9.98%
Literature References: Progesterone metabolite. Isoln from pregnant mares' urine: Brooks et al., Biochem. J. 51, 694 (1952). Prepn by heating 3a,20a-dihydroxy-5a-pregnane with sodium, or by hydrogenation of 5a-pregnane-20-ol-3-one in acid: Marker, US 2196220 and US 2250962 (1940, 1941, both to Parke, Davis); by reduction of allopregnan-3b-ol-20-one acetate with sodium: Klyne, Barton, J. Am. Chem. Soc. 71, 1500 (1949); by reduction of 5,16-pregnadien-3b-ol-20-one with Zn + acetic acid: Ercoli, De Ruggieri, Farm. Sci. Tec. 7, 11 (1952), C.A. 46, 10186b (1952).
Properties: Crystals from acetone, mp 218-219°. [a]D22 +23° (c = 0.93 in chloroform).
Melting point: mp 218-219°
Optical Rotation: [a]D22 +23° (c = 0.93 in chloroform)
 
Derivative Type: Diacetate
Molecular Formula: C25H40O4
Molecular Weight: 404.58
Percent Composition: C 74.22%, H 9.97%, O 15.82%
Properties: Crystals from petr ether, mp 164-165°. [a]D19 +0.8° (c = 1.2 in chloroform).
Melting point: mp 164-165°
Optical Rotation: [a]D19 +0.8° (c = 1.2 in chloroform)
 
Derivative Type: Dibenzoate
Molecular Formula: C35H44O4
Molecular Weight: 528.72
Percent Composition: C 79.51%, H 8.39%, O 12.10%
Properties: Crystals, mp 170.5-172°. [a]D20 +27.7° (c = 0.84 in chloroform).
Melting point: mp 170.5-172°
Optical Rotation: [a]D20 +27.7° (c = 0.84 in chloroform)