17a-hydroxy-4-pregnen-3,11,20-trione - Moligand™ , CAS No.1882-82-2

CAS: 1882-82-2 Cat. No.: A332917 Molecular Weight: 344.44 EC Number: 217-541-5
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
4-Pregnen-17alpha-ol-3,11,20-trione | A856588 | GTPL3450 | 17a-hydroxy-4-pregnen-3,11,20-trione | 6-PREGN-4-EN-17.ALPHA.-OL-3,11,20-TRIONE | Gerovital H3 | 21-Deoxycortisone | 60A688J7YQ | EINECS 217-541-5 | deoxycortisone | Q27077018 | UNII-60A688J7YQ |
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
A332917-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$836.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-Pregnen-17alpha-ol-3, 11, 20-trione | A856588 | GTPL3450 | 17a-hydroxy-4-pregnen-3, 11, 20-trione | 6-PREGN-4-EN-17.ALPHA.-OL-3, 11, 20-TRIONE | Gerovital H3 | 21-Deoxycortisone | 60A688J7YQ | EINECS 217-541-5 | deoxycortisone | Q27077018 | UNII-60A688J7YQ |
Specifications & Purity
Moligand™
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.
Grade
Moligand™
Names and Identifiers
Canonical SmilesCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O
IUPAC Name(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
InChIKeyPUKLDDOGISCFCP-JSQCKWNTSA-N
INCHI1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1
Isomeric SMILES CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
Molecular Weight 344.44
Reaxy-Rn 3460678
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3460678&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassPregnane steroids
Intermediate Tree Nodes Not available
Direct ParentGluco/mineralocorticoids, progestogins and derivatives
Alternative Parents 20-oxosteroids  3-oxo delta-4-steroids  17-hydroxysteroids  11-oxosteroids  Delta-4-steroids  Cyclohexenones  Tertiary alcohols  Alpha-hydroxy ketones  Cyclic alcohols and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound
DescriptionThis 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 corticosteroid hormone
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)>190° C (dec.)
Molecular Weight344.400 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass344.199 Da
Monoisotopic Mass344.199 Da
Topological Polar Surface Area71.400 Ų
Heavy Atom Count25
Formal Charge0
Complexity707.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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Customer Reviews

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