6β-Hydroxylevonorgestrel - ≥95% , CAS No.55555-97-0

CAS: 55555-97-0 Cat. No.: H336213 Formula: C₂₁H₂₈O₃ Peso molecolare: 328.45 Numero EC: 641-777-1 PubChem CID: 129318271

GRADE & PURITY ≥95%

Synonyms

6beta-Hydroxylevonorgestrel | 18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-6,17-DIHYDROXY-, (6.BETA.,17.ALPHA.)- | AKOS032958180 | UNII-Y643AOR6HN | (6beta,17alpha)-13-Ethyl-6,17-dihydroxy-18,19-dinorpregn-4-en-20-yn-3-one | Levonorgestrel Impurity H (6-be

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

6β-Hydroxy Norgestrel is a hydroxylated impurity of Norgestrel .

Specifications

Sinonimi

6beta-Hydroxylevonorgestrel | 18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-6,17-DIHYDROXY-, (6.BETA.,17.ALPHA.)- | AKOS032958180 | UNII-Y643AOR6HN | (6beta,17alpha)-13-Ethyl-6,17-dihydroxy-18,19-dinorpregn-4-en-20-yn-3-one | Levonorgestrel Impurity H (6-be

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504773052
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773052
• Sorrisi canonici: CCC12CCC3C4CCC(=O)C=C4C(CC3C1CCC2(C#C)O)O
• IUPAC Name: (6R,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
• InChIKey: LUDPEOWAWHAHEP-JUYLZWBTSA-N
• INCHI: 1S/C21H28O3/c1-3-20-9-7-15-14-6-5-13(22)11-17(14)19(23)12-16(15)18(20)8-10-21(20,24)4-2/h2,11,14-16,18-19,23-24H,3,5-10,12H2,1H3/t14-,15-,16-,18+,19-,20+,21+/m1/s1
• Isomeri SMILES: CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O
• PubChem CID: 129318271
• Peso molecolare: 328.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrogens and derivatives
• Alternative Parents: 6-hydroxysteroids 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Ynones Tertiary alcohols Enones Acryloyl compounds Secondary alcohols Cyclic alcohols and derivatives Haloacetylenes and derivatives Acetylides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - 6-hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Ynone - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Haloacetylene or derivatives - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
• 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

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Soluble, Sonicated), DMSO (Slightly, Sonicated), Methanol (Slightly)
• Punto di fusione (°C): 196-197° C
• Peso molecolare: 328.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 328.204 Da
• Monoisotopic Mass: 328.204 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 641.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55555-97-0, the molecular formula is C21H28O3, and the molecular weight is 328.45 g/mol. InChIKey LUDPEOWAWHAHEP-JUYLZWBTSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.