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Basic information
- CAS
1852-49-9- Standard 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- Molecular formula
- C27H44O8
- Average molar mass
- 496.641 g/mol
- Monoisotopic mass
- 496.30361837
Names & identifiers
- Preferred name
- Pregnanediol-3-glucuronide
- English name
- 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE
- Molecular formula
- C27H44O8
- Molecular weight
- 496.63
Names & synonyms
Pregnanediol 3-O-GlucuronidePREGNANEDIOL GLUCURONIDE5β-Pregnane-3α,20α-diol glucuronidePregnanediol 3-GlucuronidePregnanediol-3α-GlucuronidePregnanediol-3α-Glucuronosidepregnanediol-3alpha-glucuronidePregnanediol 3α-monoglucuronidePregnanediol 3α-O-β-D-GlucuronidePregnanediol 3a-O-β-D-Glucuronide
Database identifiers
- CAS
1852-49-9、38055-17-3- PubChem CID
- 123796
- DTXSID
DTXSID501365636- ChEBI
CHEBI:88765- UNII
- 488GK5DQ5X
- Nikkaji
- J1.588.284K
Properties
Physicochemical properties
- Melting point
- 94 °C · >94°C (dec.)
- Boiling point
- 666.4 · 666.4±55.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly)
- form
- Solid
- pka
- 2.82 · 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
- 488 GK5DQ5X · 488GK5DQ5X
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPregnanediol 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.
Uses3ALPHA,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 Description5β-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.
Suppliers26 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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