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CAS No 145-13-1 , Pregnenolone

  • Name: Pregnenolone
  • Synonyms: Pregnolon; 5-pregnen-3B-ol-20-one; Pregnenolone;3beta-Hydroxy-5-pregnen-20-one; 3-beta-hydroxypregn-5-en-20-one; Prenolon;Pregnenolone;5-Pregnenolone; 3b-Hydroxy-5-pregnen-20-one; 5-Pregnen-3beta-ol-20-one;
  • CAS Registry Number:
  • Melting Point: 190-193 ºC
  • Density: 1.09 g/cm3
  • Refractive index: 1.549
  • Alpha: 28.5 º (C=1, ETOH)
  • Water Solubility: Insoluble in water
  • Safety Statements: 22-24/25
  • EINECS: 205-647-4
  • Molecular Weight: 316.48
  • InChI: InChI=1/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
  • Risk Statements: S24/25
  • Molecular Formula: C21H32O2
  • Molecular Structure:CAS No:145-13-1 Pregnenolone

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References of Pregnenolone
Title: Pregnenolone
CAS Registry Number: 145-13-1
CAS Name: (3b)-3-Hydroxypregn-5-en-20-one
Synonyms: D5-pregnen-3b-ol-20-one; 17b-(1-ketoethyl)-D5-androsten-3b-ol
Molecular Formula: C21H32O2
Molecular Weight: 316.48
Percent Composition: C 79.70%, H 10.19%, O 10.11%
Literature References: Prepn from stigmasterol: Butenandt et al., Ber. 67, 1611 (1934); Butenandt, Fleischer, Ber. 70, 96 (1937); from androstenolone: H. Butenandt, J. Schmidt-thome, Ber. 72, 182 (1939); S. Danishefsky et al., J. Org. Chem. 40, 1989 (1975); from D5-3-acetoxyetiocholenic acid chloride: Wettstein, Helv. Chim. Acta 23, 1373 (1940); from diosgenin: Marker, Krueger, J. Am. Chem. Soc. 62, 3349 (1940); Marker et al., ibid. 69, 2173 (1947); from nologenin: eidem, ibid. 2395; by treating a 21-halo-D5-pregnen-3-ol-20-one with a reducing agent: CH 215139 (1941), C.A. 42, 3144 (1948). Crystal structure: J. Bordner et al., Cryst. Struct. Commun. 7, 513 (1978).
Properties: Needles from dil alc, mp 193°. [a]D20 +28° (alc). Very sparingly sol in water. Soly (g/100 ml of soln): carbon tetrachloride 0.5; petr ether 0.1; ethyl acetate 1.1; acetone 0.6; chloroform 17.0; ethanol 1.9; benzene 0.9; isopropanol 1.5. Soly (g/100 ml of solvent): propylene glycol 0.1; dioxane 3.1; benzyl alcohol 8.1. On refluxing with methyl alcohol yields the 17-isopregnenolone, mp 172-173°, [a]D20 -140.5° (alcohol).
Melting point: mp 193°; mp 172-173°
Optical Rotation: [a]D20 +28° (alc); [a]D20 -140.5° (alcohol)
 
Derivative Type: Acetate
Molecular Formula: C23H34O3
Molecular Weight: 358.51
Percent Composition: C 77.05%, H 9.56%, O 13.39%
Properties: Needles from alcohol, mp 149-151°. [a]D20 +22° (alcohol). Soly (g/100 ml of soln): carbon tetrachloride 5.0; petr ether 1.0; ethyl acetate 7.9; acetone 2.7; chloroform 55.0; ethanol 2.5; benzene 26.0; isopropanol 2.0. Soly (g/100 ml of solvent): propylene glycol 0.1; dioxane 20.2; benzyl alcohol 11.1; benzyl benzoate 9.1.
Melting point: mp 149-151°
Optical Rotation: [a]D20 +22° (alcohol)
 
Derivative Type: Methyl ether
CAS Registry Number: 511-26-2
Molecular Formula: C22H34O2
Molecular Weight: 330.50
Percent Composition: C 79.95%, H 10.37%, O 9.68%
Properties: Crystals from abs or dil methanol, mp 123.5°. [a]D18 +18° (c = 1.085 in chloroform).
Melting point: mp 123.5°
Optical Rotation: [a]D18 +18° (c = 1.085 in chloroform)