Shan Daonian
Structural formula
| Business number | 0524 |
|---|---|
| Molecular formula | C15H18O3 |
| Molecular weight | 246.30 |
| label |
Shan Dao Nian, Ascarisin, Ascaris, 3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnap-hthol[1,2-b]-furan-2,8(3H,4H)-dione, α-Santonin |
Numbering system
CAS number:481-06-1
MDL number:MFCD00135865
EINECS number:207-560-7
RTECS number:LE3150000
BRN number:89489
PubChem number:24899466
Physical property data
1. Character:Colorless rhombic wedge-shaped transparent crystal or white powder
2. Density (g/ m3,25/4℃): 1.187
3. Relative vapor density (g/cm3,AIR=1): Not OK
4. Melting point (ºC):170-173
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated 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 water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: slightly soluble in water
Toxicological data
Acute toxicity: Adult males via unknown routeLDLo: 15mg/kg, no details except lethal dose;
Mouse oral LD50: 900mg/kg, no detailed instructions except the lethal dose;
Mouse intraperitoneal LD50: 130mg/kg, no details except lethal dose;
Mouse transvenousLD50: 180mg/kg, no details except lethal dose;
Highly toxic. Irritating
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:66.64
2、 Molar volume（m3/mol)：208.5
3、 isotonic ratio (90.2K):530.9
4、 Surface tension（dyne/cm)：42.0
5, Polarizability(10-24cm3）：26.42
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP):2.3
2. Hydrogen Bonding Number of donors: 0
3. Hydrogen Bonding Number of receptors: 3
4. Rotatable Number of chemical bonds: 0
5. Interchange Number of isomers: 2
6. Topological molecules Polar surface area (TPSA）：43.4
7. Number of heavy atoms:18
8. Surface charge ：0
9. Complexity ：500
10. Isotope atomic number:0
11. Determine the number of atomic stereocenters:4
12. Uncertain number of atomic stereocenters:0
13. Determine the number of stereocenters of chemical bonds:0
14. No Determine the number of stereocenters of chemical bonds:0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
It is present in a certain plant of the genus Artemisia. It can be extracted from the flower buds of Artemisia roundworm, a plant of the genus Asteraceae. Take Artemisia roundworm buds, add milk of lime (pH 11-12) and boil them in hot water. The resulting leach solution is neutralized with hydrochloric acid, then concentrated under reduced pressure, cooled, and then adjusted to pH 1-2 with hydrochloric acid. Stir and heat to obtain the cyclization solution. . The cyclization liquid is fully cooled to precipitate Shandaonian crystals. The crude product obtained is recrystallized with ethanol to obtain the finished product of Sandao Nian.
Purpose
Anthelmintics. It has been used for a long time for roundworm infections with remarkable efficacy.
Synthesis of various sesquiterpenoids using chiral materials. Medical repellents.
