Pregnanediol 3-glucuronide - Moligand™, ≥98% , CAS No.1852-49-9

CAS: 1852-49-9 Cat. No.: P1438257 Formula: C₂₇H₄₄O₈ Molecular Weight: 496.63 PubChem CID: 123796

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-BETA-PREGNAN-3-ALPHA,20-ALPHA-DIOL3-GLUCOSIDURONATE | 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE3-GLUCURONIDE | 5B-pregnane-3A-20A-diolglucuronide*crystalline | 3α,20α-Dihydroxy-5β-pregnane3-glucuronide | 5β-Pregnane-3α,20α-diolglucuronide | (2S,3S,4S,5R,6

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Pregnanediol 3-glucuronide is the main terminal metabolite of Progesterone. Pregnanediol 3-glucuronide is the metabolite of Progesterone produced in the liver through hydroxylation and glucuronidation, with high hydrophilicity and easy excretion through urine. A decrease in the level of Pregnanediol 3-glucuronide is associated with an increased risk of thyroid cancer, while an increase is associated with the state of pregnancy. Pregnanediol 3-glucuronide is of great significance in the monitoring of female reproductive health, pregnancy assessment, and the diagnosis of endocrine diseases.

Specifications

Synonyms

5-BETA-PREGNAN-3-ALPHA,20-ALPHA-DIOL3-GLUCOSIDURONATE | 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE3-GLUCURONIDE | 5B-pregnane-3A-20A-diolglucuronide*crystalline | 3α,20α-Dihydroxy-5β-pregnane3-glucuronide | 5β-Pregnane-3α,20α-diolglucuronide | (2S,3S,4S,5R,6

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)O
• IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
• InChIKey: ZFFFJLDTCLJDHL-JQYCEVDMSA-N
• INCHI: 1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O
• WGK Germany: 3
• PubChem CID: 123796
• Molecular Weight: 496.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Steroidal glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid glucuronide conjugates
• Alternative Parents: Pregnane steroids Hydroxysteroids O-glucuronides O-glycosyl compounds Beta hydroxy acids and derivatives Pyrans Monosaccharides Oxanes Secondary alcohols Polyols Monocarboxylic acids and derivatives Acetals Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroid-glucuronide-skeleton - 20-hydroxysteroid - Pregnane-skeleton - Hydroxysteroid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Secondary alcohol - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive