11-β-Hydroxyandrosterone - ≥98% , CAS No.57-61-4

CAS: 57-61-4 Cat. No.: H358570 Formula: C₁₉H₃₀O₃ Molecular Weight: 306.44

GRADE & PURITY ≥98%

Synonyms

HY-113351 | MS-24441 | 5alpha-Androstan-3alpha,11beta-diol-17-one | LMST02020086 | HMS1534J17 | 3alpha,11beta-dihydroxy-5alpha-androstan-17-one | 11.BETA.-OH-ANDROSTERONE | 11-Hydroxyandrosterone | 11-hydroxy-androsterone | 11-beta-Hydroxyandrosterone | 1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

HY-113351 | MS-24441 | 5alpha-Androstan-3alpha,11beta-diol-17-one | LMST02020086 | HMS1534J17 | 3alpha,11beta-dihydroxy-5alpha-androstan-17-one | 11.BETA.-OH-ANDROSTERONE | 11-Hydroxyandrosterone | 11-hydroxy-androsterone | 11-beta-Hydroxyandrosterone | 1

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: 504765372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765372
• Canonical Smiles: CC12CCC(CC1CCC3C2C(CC4(C3CCC4=O)C)O)O
• IUPAC Name: (3R,5S,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
• InChIKey: PIXFHVWJOVNKQK-PTXZMSDUSA-N
• INCHI: 1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1
• Isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O
• Molecular Weight: 306.44
• Reaxy-Rn: 2622653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2622653&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Androstane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Androgens and derivatives
• Alternative Parents: 3-alpha-hydroxysteroids 17-oxosteroids 11-beta-hydroxysteroids Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Androgen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 3-alpha-hydroxysteroid - Cyclic alcohol - Ketone - Secondary alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
• External Descriptors: C19 steroids (androgens) 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)

UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

Discover Target: UGT2B7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

Discover Target: UGT2B4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Melt Point(°C): 186-189°C
• Molecular Weight: 306.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 306.219 Da
• Monoisotopic Mass: 306.219 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 489.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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