Structural formula
Business number | 01Q4 |
---|---|
Molecular formula | C30H50O |
Molecular weight | 426.72 |
label |
cryptosterol, Lanosta-8,24-dien-3β-ol, Polysterol compounds, alcohol solvent |
Numbering system
CAS number:79-63-0
MDL number:MFCD00021108
EINECS number:201-214-9
RTECS number:OE3360000
BRN number:2226449
PubChem number:24896417
Physical property data
1. Properties: White crystal.
2. Density (g/mL, 20/4℃): 0.98
3. Relative vapor density (g/mL, air=1): Uncertain
4. Melting point (ºC): 138~140℃
5. Boiling point (ºC, normal pressure) uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain Confirm
7. Refractive index (n20D): 1.53
8. Flash Point (ºC): 221.1
9. Specific rotation (º): [α]D20 +62.0° (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 ether, ethanol, chloroform, insoluble Yu Shui
Toxicological data
Mammalian gastrointestinal TDLO: 1819 ug/kgSEX/DURATION
It is the precursor of many sterol compounds.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 133.40
2. Molar volume (cm3/mol): 431.8
3. Isotonic specific volume (90.2K ): 1071.9
4. Surface tension (dyne/cm): 37.9
5. Polarizability (10-24cm3): 52.88
Compute chemical data
1. Number of hydrogen bond donors: 1
2. Number of hydrogen bond acceptors: 1
3. Number of rotatable chemical bonds: 4
4. Topological molecular polar surface area (TPSA): 20.2
5, Number of heavy atoms: 31
6, Surface charge: 0
7, Complexity: 767
8, Number of isotope atoms: 0
9. Determine the number of atomic stereocenters: 7
10. Uncertain number of atomic stereocenters: 0
11. Determine the number of chemical bond stereocenters: 0
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12. The number of uncertain stereocenters of chemical bonds: 0
13. The number of covalent bonding units: 1
Properties and stability
1. Found in flue-cured tobacco leaves.
Storage method
This product should be sealed and stored in a cool place. Storage temperature-20ºC
Synthesis method
1. Obtain crystals from methanol-acetone and needle crystals from ethanol.
2. Tobacco: FC, 8; prepared by cyclization of squalene.
Purpose
For research on arteriosclerosis.