Stigmasterol Stigmasterol

Structural formula

• 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:83-48-7

MDL number:MFCD00003630

EINECS number:201-482-7

RTECS number:None

BRN number:2568182

PubChem number:24899523

Physical property data

1. Properties: colorless crystalline powder.

2. Density (g/mL, 20/4℃): 0.98

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 170℃

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): [α] D22 -51° (C=2, in chloroform).

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturation Vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (% ,V/V): Uncertain

18. Lower explosion limit (%,V/V): Uncertain

19. Solubility: Soluble in hot ethanol, ether, acetone, Organic solvents such as benzene and chloroform, insoluble in water

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 129.12

2. Molar volume (cm³/mol): 417.6

3. Isotonic specific volume (90.2K ): 1038.6

4. Surface tension (dyne/cm): 38.2

5. Polarizability (10^-24cm³): 51.18

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 8.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 5

5. Topological molecular polarity tableArea (TPSA): 20.2

6. Number of heavy atoms: 30

7. Surface charge: 0

8. Complexity: 674

9. Number of isotope atoms: 0

10. Number of determined atomic stereocenters: 9

11. Number of uncertain atomic stereocenters: 0

12. Determined number of stereocenters of chemical bonds: 1

13. Uncertain number of stereocenters of chemical bonds: 0

14. Number of covalent bond units: 1

Properties and stability

1. Found in flue-cured tobacco leaves, burley tobacco leaves, and oriental tobacco leaves.

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

1. It is rich in soybeans, as well as others such as lentils, cocoa butter, rapeseed oil, etc. It is generally not absorbed and utilized by animals. The unsaponifiable matter in soybean oil is acetylated and brominated, and then the insoluble tetrabromide is separated and extracted using a mixed solvent of ether and acetic acid, and the insoluble tetrabromide is debrominated and saponified with zinc and acetic acid to prepare it.

2. Tobacco: FC, 8, 14, 32, 41, 43; BU, 9; BU, OR, 14.

3. Obtain crystals from ethanol-water.

Purpose

Used as raw material for steroid hormone synthesis.