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1887-95-2

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Basic Information
CAS No.: 1887-95-2
Name: Pregn-5-ene-3alpha,17alpha-diol-20-one
Molecular Structure:
Molecular Structure of 1887-95-2 (Pregn-5-ene-3alpha,17alpha-diol-20-one)
Formula: C21H32 O3
Molecular Weight: 332.483
Synonyms: Pregn-5-en-20-one,3a,17-dihydroxy- (7CI,8CI);Pregn-5-ene-3a,17a-diol-20-one
EINECS: 206-862-6
Density: 1.15
Boiling Point: 478.4°Cat760mmHg
Flash Point: 257.2°C
PSA: 57.53000
LogP: 3.63020
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Chemistry

Molecular Structure of Pregn-5-ene-3alpha,17alpha-diol-20-one (CAS No.1887-95-2):

Molecular Formula: C21H32O3
Molecular Weight: 332.48
CAS No: 1887-95-2
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.567
Molar Refractivity: 93.91 cm3
Molar Volume: 287.1 cm3
Surface Tension: 48.3 dyne/cm
Density: 1.15 g/cm3
Flash Point: 257.2 °C
Enthalpy of Vaporization: 85.57 kJ/mol
Boiling Point: 478.4 °C at 760 mmHg
Vapour Pressure: 3.69E-11 mmHg at 25°C
Systematic Name: (3beta)-3,17-Dihydroxypregn-5-en-20-one 
InChI: InChI=1/C21H32O3/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/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey: JERGUCIJOXJXHF-TVWVXWENBZ

Specification

   Pregn-5-ene-3alpha,17alpha-diol-20-one (CAS No.1887-95-2), it also can be called (3alpha)-3,17-Dihydroxy-pregn-5-en-20-one ; 3b,17a-Dihydroxypregn-5-en-20-one ; 3beta,17alpha-Dihydroxy-5-pregnen-20-one ; Pregn-5-en-20-one, 3,17-dihydroxy-, (3.beta.)- ; (3-beta)-3,17-Dihydroxypregn-5-en-20-one ; 17alpha-Hydroxypregnenolone .