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
