![[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS: 915-05-9) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0770927.png "[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate chemical structure")
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Catalog No: FT-0770927
CAS No: 915-05-9
- Chemical Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- Molecular Formula: C31H52O2
- Molecular Weight: 456.7
- InChI Key: PBWOIPCULUXTNY-LBKBYZTLSA-N
- InChI: InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 133ºC |
|---|---|
| FW: | 456.743 |
| CAS: | 915-05-9 |
| MF: | C31H52O2 |
| Flash_Point: | 262.1±11.8 °C |
| Product_Name: | β-Sitosterol acetate |
| Bolling_Point: | 514.5±29.0 °C at 760 mmHg |
| Density: | 1.0±0.1 g/cm3 |
| Refractive_Index: | 1.513 |
|---|---|
| Vapor_Pressure: | 0.0±1.3 mmHg at 25°C |
| Flash_Point: | 262.1±11.8 °C |
| LogP: | 11.58 |
| Bolling_Point: | 514.5±29.0 °C at 760 mmHg |
| FW: | 456.743 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）134°C ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Computational_Chemistry: | ['1 . XlogP 99 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 8 ', '5 . TPSA 263 ', '6 . Heavy Atom Count 33 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 737 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 9 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| Melting_Point: | 133ºC |
| MF: | C31H52O2 |
| Exact_Mass: | 456.396729 |
| Molecular_Structure: | ['1 . Molar refractive index 13879 ', '2 . Molar volume （m3/mol）4620 ', '3 . Parachor （902K）11396 ', '4 . Surface tension 370 ', '5 . Polarizability （10 -24cm 3）5502'] |
| Density: | 1.0±0.1 g/cm3 |
| PSA: | 26.30000 |
