Pregnenolone

Molecule structure of Pregnenolone (CAS NO.145-13-1):

IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 
Molecular Weight: 316.47758 g/mol
Molecular Formula: C₂₁H₃₂O₂ 
Density: 1.09 g/cm³ 
Melting Point: 188-190 °C
Boiling Point: 443.3 °C at 760 mmHg 
Flash Point: 188.9 °C
Index of Refraction: 1.549
Molar Refractivity: 92.35 cm³
Molar Volume: 290 cm³
Polarizability: 36.61×10^-24 cm³
Surface Tension: 42.7 dyne/cm 
Enthalpy of Vaporization: 80.89 kJ/mol
Vapour Pressure: 1.02E-09 mmHg at 25 °C
XLogP3: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 316.24023
MonoIsotopic Mass: 316.24023
Topological Polar Surface Area: 37.3
Heavy Atom Count: 23
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O))C
InChI: InChI=1S/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
InChIKey: ORNBQBCIOKFOEO-QGVNFLHTSA-N
EINECS: 205-647-4
Product Categories: Steroids; Steroids & Hormones - 13C & 2H; Biochemistry; Hydroxyketosteroids; Steroids (Others)

 Pregnenolone (CAS NO.145-13-1) is used for biochemical research. It is also used as steroid pharmaceutical intermediates and synthesis of steroid drugs.

 Pregnenolone is made by cholesterol. This conversion involves hydroxylation at the side-chain at C20 and C22 positions, with cleavage of the side-chain. The enzyme performing this task is cytochrome P450scc, located in the mitochondria, and controlled by pituitary tropic hormones, such as ACTH, FSH, LH.

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: TU5560700

 Pregnenolone (CAS NO.145-13-1) is also named as 3-beta-Hydroxypregn-5-en-20-one ; 3beta-Hydroxypregn-5-en-20-one ; 5-Pregnen-3-beta-ol-20-one ; 5-Pregnen-3beta-ol-20-one ; Arthenolone ; Bina-Skin ; Enelone ; NSC 1616 ; Natolone ; Pregn-5-en-20-one, 3-hydroxy-, (3-beta)- ; Pregnenolona ; Pregnenolona [INN-Spanish] ; Pregnenolonum ; Pregnenolonum [INN-Latin] ; Pregnetan ; Pregneton ; Pregnolon ; Prenolon ; Regnosone ; Skinostelon ; UNII-73R90F7MQ8 ; delta5-Pregnenolone . Pregnenolone (CAS NO.145-13-1) is white to off-white powder. It is insoluble in water. Its esterified version, pregnenolone sulfate, is water-soluble.