Deoxycortisone

Structural formula

Business number	03YX
Molecular formula	C21H30O4
Molecular weight	346.46
label	adrenergic corticosterone, 11-deoxypisterol, 17α,21-dihydroxy-4-pregnene-3,20-dione, 4-Pregnene-17α,21-diol-3,20-dione, 11-Deoxy-17-hydroxycorticosterone, 11-Deoxycortisol, 17α,21-Dihydroxy-4-pregnene-3,20-dione, 17α-Hydroxycortexone, 17,21-Dihydroxy-4-pregnene-3,20-dione, 4-Pregnene-17α,21-diol-3,20-dione

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:152-58-9

MDL number:MFCD00003662

EINECS number:205-805-2

RTECS number:TU5011500

BRN number:None

PubChem number:24278671

Physical property data

1. Physical property data:

1. Melting point (ºC): 205-208ºC
2. Characteristics:Plate shape and glossy of crystallization.
3 . Solubility:Soluble in acetone, methanol and ethanol, very slightly soluble in water and ether.

Toxicological data

2. Toxicological data:

1, acute toxicity: mouse intravenous LD50: 100 mg/kg

Ecological data

3. Ecological data:

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:

1. Molar refractive index:94.05

2. Molar volume (m³/ mol):283.4

3. Isotonic specific volume (90.2K): 764.2

4. Surface tension (dyne/cm): 52.8

5. Polarizability（10^-24cm³):37.28

Compute chemical data

4. Calculated chemical data:

1. Hydrophobic parameters Calculate reference value (XlogP）：2.5

2. Hydrogen Bonding Number of donors: 2

3. Number of hydrogen bond acceptors: 4

4. Rotatable Number of chemical bonds: 2

5. Topological molecules Polar surface area (TPSA）：74.6

6. Heavy atoms Quantity: 25

7. Surface charge ：0

8. Complexity ：652

9. Isotope atomic number:0

10. Determine the number of atomic stereocenters:6

11. Uncertain number of atomic stereocenters:0

12. Determine the number of stereocenters of chemical bonds:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

None

Storage method

Should be kept sealed.

Synthesis method

Can be separated from adrenal gland extract, or can be prepared from bile acids, yam saponins, etc. .

Purpose

For biochemical research.

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10. Determine the number of atomic stereocenters:6

11. Uncertain number of atomic stereocenters:0

12. Determine the number of stereocenters of chemical bonds:0

13. Uncertain number of chemical bond stereocenters:0

14. Number of covalent bond units: 1

Properties and stability

None

Storage method

Should be kept sealed.

Synthesis method

Can be separated from adrenal gland extract, or can be prepared from bile acids, yam saponins, etc. .

Purpose

For biochemical research.

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Purpose

For biochemical research.