HuagongsheHuagongshe Chemistry Print Report · For research reference only
3beta-Acetoxy-5alpha-pregnan-20-one
-Acetate · -Pregnan-3β-ol-20-one3βAllogenein acetate · Allopregnanolone acetate · EPIALLOPREGNANOLONE ACETATE · 5α-PREGNAN-3β-OL-20-ONE ACETATE · Allopregnan-3β-ol-20-one acetate · 5A-pregnan-3B-ol-20-one 3B-acetate · Allopregnan-3.β.-ol-20-one acetate
Identifiers & Physical Properties
| CAS No. | 906-83-2 |
|---|---|
| Molecular formula | C23H36O3 |
| Average molar mass | 360.5 g/mol |
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 |
| InChIKey | GFHOQCXDABGYAL-POBGKJHXSA-N |
| PubChem CID | 227113 |
| ChEBI | CHEBI:79918 |
| EC No. | 149-048-5 |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 598 |
| Melting point | 143 °C |
| Boiling point | 443.7±18.0 °C(Predicted) |
| Density | 1.07±0.1 g/cm3(Predicted) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Water hazard class (WGK) | 3 |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
5α-Pregnan-3β-ol-20-one 3β-Acetate is a derivative of Pregnenolone (P712200); a steroid hormone involved in the steroidogenesis of progesterone, mineralocorticoids, glucocorticoids, androgens, and estrogens. As such it is a prohormone. Pregnenolone is a GABAA antagonist and increases neurogenesis in the hippocampus. It is a modulator of cytochrome P 450-3A.