structural formula

business number	013a
molecular formula	c21h30o4
molecular weight	346.46
label	corticosterone, adrenaline corticosterone, adrenaline, 11β,21-dihydroxy-4-pregnene-3,20-dione, 11β,21-dihydroxyprogesterone, 4-pregnene-11β,21-diol-3,20-dione, kendall’s compound b, reichstein’s substance

• 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:50-22-6

mdl number:mfcd00037715

einecs number:200-019-6

rtecs number:gm7650000

brn number:2339601

pubchem number:24278302

physical property data

1. properties: white crystalline powder, odorless, initially tasteless, then has a persistent bitter taste

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (oc): 179-183 °c (lit.)

5. boiling point (oc, normal pressure): undetermined

6. boiling point (oc, 5.2 kpa): undetermined

7. refractive index: undetermined

8. flash point (oc): undetermined

9. specific rotation (o): undetermined

10. autoignition point or ignition temperature (oc): undetermined determined

11. vapor pressure (kpa, 25 oc): undetermined

12. saturated vapor pressure (kpa, 60 oc): undetermined

13 . heat of combustion (kj/mol): undetermined

14. critical temperature (oc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: easily soluble in methanol, ethanol, chloroform, slightly soluble in ether, benzene, acetone, not soluble in water, soluble in concentrated sulfuric acid it turns into an orange-red solution with strong green fluorescence

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 94.03

2. molar volume (cm³/mol): 284.0

3. isotonic specific volume (90.2k ): 762.2

4. surface tension (dyne/cm): 51.8

5. polarizability (10-24cm3)???37.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 2

5. number of tautomers: 20

6. topological molecule polar surface area 74.6

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 638

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 7

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be sealed and stored in a dry place away from light.

synthesis method

it can be isolated from adrenal gland extract, or made from bile acid, yam saponin, etc.

purpose

an adrenocortical hormone. it is used as an alternative treatment for adrenal insufficiency, but has serious side effects.

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