structural formula
| business number | 03k0 |
|---|---|
| molecular formula | c27h44o3 |
| molecular weight | 416.64 |
| label |
(25s)-spirostan-3β-ol, parogenin, foaming agent, excipient, food additives |
numbering system
cas number:126-19-2
mdl number:mfcd00270414
einecs number:24899798
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 119.65
2. molar volume (m3/mol）：374.3
3. isotonic ratio (90.2k):962.9
4. surface tension (dyne/cm):43.8
5. polarizability（10-24cm3):47.43
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 6.5
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: none
6. topological molecule polar surface area 38.7
7. number of heavy atoms: 30
8. surface charge: 0
9. complexity: 694
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 12
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
none
synthesis method
none
purpose
none
