4-Pregnen-17α,20α-diol-3-one - ≥95% , CAS No.652-69-7

CAS: 652-69-7 Cat. No.: P355451 Molecular Weight: 332.48 PubChem CID: 440368

GRADE & PURITY ≥95%

Synonyms

17 alpha, 20 alpha-OHP | 17 alpha, 20 alpha-P | 4-Pregnen-17 alpha ,20 alpha -diol-3-one | Q27101892 | 17,20 alpha-OHP | (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

20 hydroxyprogesterone, scientifically known as (20S) -17,20-dihydroxypregne-4-en-3-one, is a naturally synthesized steroid hormone in the adrenal cortex, ovaries, and placenta. In the female reproductive system, it plays a crucial role as an essential hormone. Determining the level of 20 hydroxyprogesterone is helpful for the diagnosis and treatment of various diseases. In addition, researchers have used (20S) -17,20-dihydroxypregne-4-en-3-one to investigate the effects of progesterone on carbohydrate, lipid, and protein metabolism.   

Specifications

Synonyms

17 alpha, 20 alpha-OHP | 17 alpha, 20 alpha-P | 4-Pregnen-17 alpha , 20 alpha -diol-3-one | Q27101892 | 17, 20 alpha-OHP | (8R, 9S, 10R, 13S, 14S, 17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10, 13-dimethyl-2, 6, 7, 8, 9, 11, 12, 14, 15, 16-decahydro-1H-cyclopenta[a]phenanth

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O
• IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• InChIKey: MASCESDECGBIBB-HNXXTFFGSA-N
• INCHI: 1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1
• Isomeric SMILES: C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
• PubChem CID: 440368
• Molecular Weight: 332.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Pregnane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Gluco/mineralocorticoids, progestogins and derivatives
• Alternative Parents: 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives 1,2-diols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - 1,2-diol - Cyclic ketone - Secondary alcohol - Ketone - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
• External Descriptors: C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives

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

• Solubility: Soluble in Acetone and Chloroform
• Melt Point(°C): 204-206°C (lit.)
• Molecular Weight: 332.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 332.235 Da
• Monoisotopic Mass: 332.235 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 596.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1