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Aldosterone

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Name

Aldosterone

EINECS 200-139-9
CAS No. 52-39-1 Density 1.28 g/cm3
PSA 91.67000 LogP 1.84570
Solubility 51.2 mg/L at 37 °C in water Melting Point 170-172 °C
Formula C21H28O5 Boiling Point 568.1 °C at 760 mmHg
Molecular Weight 360.45 Flash Point 311.4 °C
Transport Information N/A Appearance white solid
Safety 22-24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52-39-1 (ALDOSTERONE) Hazard Symbols IrritantXi
Synonyms

Aldosterone(8CI);(+)-Aldosterone;11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al;11b,21-Dihydroxy-3,20-diketopregn-4-ene-18-al;11b,21-Dihydroxypregn-4-ene-3,18,20-trione;18-Formyl-11b,21-dihydroxy-4-pregnene-3,20-dione;18-Oxocorticosterone;Aldocorten;Aldocortin;Electrocortin;Elektrocortin;NSC 73856;Reichstein X;d-Aldosterone;Aldosterone;

Article Data 13

Aldosterone Synthetic route

124537-57-1

3,3;20,20-bis-ethanediyldioxy-11β,21-dihydroxy-pregn-5-en-18-al

52-39-1

aldosterone

Conditions
ConditionsYield
With hydrogenchloride
145-13-1

Pregnenolone

A

50-22-6

Corticosterone

B

52-39-1

aldosterone

C

10385-97-4

18,21-dihydroxy-4-pregnen-3,20-dione

Conditions
ConditionsYield
With air; dibutyric cyclic AMP; NaHCO3 buffer; normal male Sprague-Dawley rat adrenal glands after feeding for 72 h with 1 percent NaCl at 37℃; for 3h; Product distribution; tritium labeled study;
297-91-6

aldosterone 21-acetate

52-39-1

aldosterone

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: chromium (VI)-oxide; acetic acid
2: methanol; concentrated aqueous hydrochloric acid
3: ethylene glycol; toluene-4-sulfonic acid / 0.2 Torr
4: dioxane; lithium alanate; diethyl ether
5: aqueous HCl
View Scheme
2507-89-3

11β,21-dihydroxy-3,20-dioxo-pregn-4-en-18-oic acid-11-lactone

52-39-1

aldosterone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ethylene glycol; toluene-4-sulfonic acid / 0.2 Torr
2: dioxane; lithium alanate; diethyl ether
3: aqueous HCl
View Scheme
3329-80-4

21-acetoxy-11β-hydroxy-3,20-dioxo-pregn-4-en-18-oic acid-lactone

52-39-1

aldosterone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: methanol; concentrated aqueous hydrochloric acid
2: ethylene glycol; toluene-4-sulfonic acid / 0.2 Torr
3: dioxane; lithium alanate; diethyl ether
4: aqueous HCl
View Scheme
86698-82-0

3,3;20,20-bis-ethanediyldioxy-11β,21-dihydroxy-pregn-5-en-18-oic acid-11-lactone

52-39-1

aldosterone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dioxane; lithium alanate; diethyl ether
2: aqueous HCl
View Scheme
117824-25-6

C21H30O2*C42H70O35

A

80-75-1

11-alpha-hydroxyprogesterone

B

20-hydroxy-pregnan-18-oic acid

C

52-39-1

aldosterone

Conditions
ConditionsYield
With potassium dihydrogenphosphate; magnesium sulfate heptahydrate; L-asparagine; D-glucose In ethanol; water at 30℃; for 72h; pH=5.5; Time; Concentration; Microbiological reaction; Overall yield = 62.95 %Chromat.;A 48.25 %Chromat.
B 6.84 %Chromat.
C 7.86 %Chromat.
57-83-0

Progesterone

A

80-75-1

11-alpha-hydroxyprogesterone

B

20-hydroxy-pregnan-18-oic acid

C

52-39-1

aldosterone

Conditions
ConditionsYield
With potassium dihydrogenphosphate; magnesium sulfate heptahydrate; L-asparagine; D-glucose; β‐cyclodextrin In ethanol; water at 30℃; for 48h; pH=5.5; Solvent; Reagent/catalyst; Time; Concentration; Microbiological reaction; Overall yield = 87.15 %Chromat.;A 71.33 %Chromat.
B 8.58 %Chromat.
C 7.24 %Chromat.
52-39-1

aldosterone

4-bromoaldosterone

Conditions
ConditionsYield
With oxone; triethylamine; sodium bromide In tetrahydrofuran; water at 20℃; for 3h;83%
52-39-1

aldosterone

C21H27ClO4

Conditions
ConditionsYield
Stage #1: aldosterone With dmap; methanesulfonyl chloride; triethylamine In dichloromethane at 0 - 20℃; for 1h;
Stage #2: With lithium chloride In N,N-dimethyl-formamide at 60℃; for 2h;
80.9%
Stage #1: aldosterone With dmap; methanesulfonyl chloride; triethylamine In dichloromethane at 0 - 20℃; for 1h;
Stage #2: With lithium chloride In N,N-dimethyl-formamide at 60℃; for 2h;
80.9%

Aldosterone Consensus Reports

Reported in EPA TSCA Inventory.

Aldosterone Specification

Aldosterone is a steroid hormone produced by the adrenal cortex in the adrenal gland to regulate sodium and potassium balance in the blood. With the CAS registry number 52-39-1, it is also named as 11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al. The product's categories are TPI; Steroids; Intermediates & Fine Chemicals; Pharmaceuticals. Besides, it is white solid, which should be stored in sealed place at 2-8 °C. Its molecular formula is C21H28O5 and molecular weight is 360.44.

Physical properties about Aldosterone are: (1)ACD/LogP: 0.037; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 24.96; (7)ACD/KOC (pH 7.4): 24.96; (8)#H bond acceptors: 5 ; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 94.35 cm3; (13)Molar Volume: 281.269 cm3; (14)Polarizability: 37.403 10-24cm3; (15)Surface Tension: 56.9980010986328 dyne/cm ; (16)Density: 1.281 g/cm3; (17)Flash Point: 311.422 °C; (18)Enthalpy of Vaporization: 97.943 kJ/mol; (19)Boiling Point: 568.095 °C at 760 mmHg;

Uses of Aldocortin: This chemical is an adrenocortical steroid which exerts regulatory influence on metabolism of electrolytes and water. And it is a mineralocorticoid produced by the adrenal cortex that induces urinary excretion of K+.

When you are using Aldosterone, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing to avoid contact with skin and eyes. Moreover, please do not breathe dust.

People can use the following data to convert to the molecule structure.
(1)SMILES: OCC(=O)[C@H]3C[C@H]4C2CC/C1=C/C(=O)CC[C@]1(C)[C@H]2[C@@H](O)C[C@]4(C=O)C3
(2)InChI: InChI=1/C21H28O5/c1-20-5-4-14(24)7-13(20)2-3-15-16-6-12(18(26)10-22)8-21(16,11-23)9-17(25)19(15)20/h7,11-12,15-17,19,22,25H,2-6,8-10H2,1H3/t12-,15,16-,17-,19+,20-,21-/m0/s1
(3)InChIKey: KMEFFAZKHCSBGC-TURUQIDBBX

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