Pregnanediol-3-glucuronide
Pregnanediol 3-O-Glucuronide · PREGNANEDIOL GLUCURONIDE · 5β-Pregnane-3α,20α-diol glucuronide · Pregnanediol 3-Glucuronide · Pregnanediol-3α-Glucuronide · Pregnanediol-3α-Glucuronoside · pregnanediol-3alpha-glucuronide · Pregnanediol 3α-monoglucuronide
Identifiers & Physical Properties
| CAS No. | 1852-49-9 |
|---|---|
| Molecular formula | C27H44O8 |
| Average molar mass | 496.641 g/mol |
| Monoisotopic mass | 496.30361837 g/mol |
| SMILES | C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | ZFFFJLDTCLJDHL-JQYCEVDMSA-N |
| PubChem CID | 123796 |
| ChEBI | CHEBI:88765 |
| DTXSID | DTXSID501365636 |
Chemical & Physical Properties
| Melting point | >94°C (dec.) |
|---|---|
| Boiling point | 666.4±55.0 °C(Predicted) |
| Density | 1.30±0.1 g/cm3(Predicted) |
| Storage conditions | −20°C |
| Solubility | Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 2.82±0.70(Predicted) |
| Color | White to Pale Beige |
| InChIKey | ZFFFJLDTCLJDHL-UHFFFAOYSA-N |
| SMILES | CC(O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC5OC(C(O)C(O)C5O)C(O)=O |
| FDA UNII | 488GK5DQ5X |
| UNSPSC Code | 51111800 |
| NACRES | NA.77 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
|---|---|
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
Applications & Uses
Uses
Pregnanediol 3α-O-β-D-Glucuronide is the glucuronide conjugate of Pregnanediol (P705130). Levels of Pregnanediol 3α-O-β-D-Glucuronide can be used to monitor the reproductive status of dairy cows. 3α-O-β-D-Glucuronide can be used (as an alternative to creatine) as a reference to adjust other hormonal markers in study of urinary hormonal profiles in the human menstrual cycle.
Uses
3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE is the glucuronide conjugate of Pregnanediol (P705130).3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE can be used to monitor the reproductive status of dairy cows. 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE can be used (as an alternative to creatine) as a reference to adjust other hormonal markers in study of urinary hormonal profiles in the human menstrual cycle.
General Description
5β-Pregnane-3α,20α-diol glucuronide is a progesterone metabolite predominant in urine, during pregnancy. Presence of 5β-Pregnane-3α,20α-diol glucuronide in the urine indicates pregnancy, but it might also account for pseudopregnancy. It is useful in predicting the delivery time/end of pseudopregnancy.