Structural formula
| Business number | 015Y |
|---|---|
| Molecular formula | C19H30O3 |
| Molecular weight | 306.44 |
| label |
(4aS,4bS,6aS,7R,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyl-tetradecahydroindeno[4,5-h]isochromene-2(1H) -ketone, (4aS,4bS,6aS,7R,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyl-tetradecahydroindeno[4,5-h]isochromen-2(1H)-one |
Numbering system
CAS number:53-39-4
MDL number:MFCD00198944
EINECS number:200-172-9
RTECS number:RN6800700
BRN number:None
PubChem ID:None
Physical property data
1. Character: White odorless crystalline powder
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC):235-238
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Easily soluble in chloroform, slightly soluble in ethanol, acetone, slightly soluble in ether, and very slightly soluble in water.
Toxicological data
1, acute toxicity: Rat oral LD50: >10 mg/kg; rat intraperitoneal LD50 SPAN>: 4893 mg/kg; Rat subcutaneous LD50: >10 mg/kg ; Mouse oral LD50: 1832 mg/kg;
Mouse abdominal cavityLD50: 922 mg/kg; Mouse subcutaneous: >11 mg/kg; Rabbit Oral LD50: >5 mg/kg
2, reproductive toxicity: Oral administration to female rats TDLo: 1800mg/kg, 2-19 Pregnancy occurs after 3 days; subcutaneous TDLo in female rats: 70mg/kg, 14 Mate in advance;
Female RatTDLo：300mg/kg, 30 days before mating
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 85.10
2. Molar volume (m3/mol）：277.0
3. isotonic ratio(90.2K)：696.3
4. Surface Tension(dyne/cm)：39.8
5. Polarizability(10-24cm3)：33.73
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 503
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 7
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond stereocenter.�Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
Seal and store in a cool place away from light.
Synthesis method
With5-Androster-1-ene-3-17-二Keto or17β-Hydroxy-17-α-Methyl derivatives are used as raw materials.
Purpose
is a male hormone whose main function is protein assimilation. Used to treat high cholesterol and triglycerides.
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