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
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.