HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cholesta-3,5-dien-3-yl acetate
Cholesta-3,5-dien-3-ol acetate · Cholesta-3,5-dien-3-ol, acetate (6CI,7CI,8CI,9CI) · (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Identifiers & Physical Properties
| CAS No. | 2309-32-2 |
|---|---|
| Molecular formula | C29H46O2 |
| Average molar mass | 426.7 g/mol |
| Monoisotopic mass | 426.34978071 g/mol |
| SMILES | CC(=O)OC1=CC2=CCC3C(CCC4(C)C(C(C)CCCC(C)C)CCC34)C2(C)CC1 |
| InChIKey | DGCXQKBLGRZRTK-UHFFFAOYSA-N |
| PubChem CID | 281908 |
| EC No. | 104-179-7 |
| DTXSID | DTXSID80945763 |
Chemical & Physical Properties
| XLogP | 9.1 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 7 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 746 |
| Melting point | 81 °C(Solv: methanol (67-56-1)) |
| Boiling point | 523.9±17.0 °C(Predicted) |
| Density | 1.01±0.1 g/cm3(Predicted) |