11α-Hydroxy Progesterone - ≥98% , CAS No.80-75-1

CAS: 80-75-1 Cat. No.: H137696 Molecular Weight: 330.46 EC Number: 201-306-9

GRADE & PURITY ≥98%

Synonyms

(8S,10R,11R,13S,17S)-17-Acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one | Opera_ID_1692 | Pregn-4-ene-3,20-dione, 11-hydroxy-, (11.alpha.)- | (9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(8S, 10R, 11R, 13S, 17S)-17-Acetyl-11-hydroxy-10, 13-dimethyl-1, 2, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17-tetradecahydro-cyclopenta[a]phenanthren-3-one | Opera_ID_1692 | Pregn-4-ene-3, 20-dione, 11-hydroxy-, (11.alpha.)- | (9S, 10R, 11R, 13S, 14S, 17S)-17-acetyl-11-hydroxy-

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756130
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756130
• Canonical Smiles: CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
• IUPAC Name: (8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• InChIKey: BFZHCUBIASXHPK-QJSKAATBSA-N
• INCHI: 1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
• Molecular Weight: 330.46
• Reaxy-Rn: 2062106
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062106&ln=

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: 20-oxosteroids 3-oxo delta-4-steroids 11-alpha-hydroxysteroids Delta-4-steroids Cyclohexenones Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Ketone - Secondary alcohol - Cyclic ketone - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - 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

Associated Targets(Human)

HSD11B2 Tchem Corticosteroid 11-beta-dehydrogenase isozyme 2 (1 Activities)

Discover Target: HSD11B2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (1 Activities)

Discover Target: HSD11B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Molecular Weight: 330.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 330.219 Da
• Monoisotopic Mass: 330.219 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 621.000
• 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