6-Ketoestradiol (Standard) , CAS No.571-92-6

CAS: 571-92-6 Cat. No.: K1453422 Peso molecular: 286.37 Beilstein Registry Number: 3208779 Número EC: 641-994-1 PubChem CID: 66419

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

6-Ketoestradiol (Standard) is the analytical standard of 6-Ketoestradiol. This product is intended for research and analytical applications. 6-Ketoestradiol can be used to synthesize re-containing 7α-substituted estradiol complexes.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: CC12CCC3C(C1CCC2O)CC(=O)C4=C3C=CC(=C4)O
• IUPAC Name: (8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
• InChIKey: ZHTDDOWJIRXOMA-YVEZLPLXSA-N
• INCHI: 1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1
• Isómeros SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=C3C=CC(=C4)O
• WGK Alemania: 3
• PubChem CID: 66419
• Peso molecular: 286.37
• Beilstein: 3208779

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrogens and derivatives
• Alternative Parents: 6-oxosteroids 3-hydroxysteroids 17-hydroxysteroids Phenanthrenes and derivatives Tetralins Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 17-hydroxysteroid - 6-oxosteroid - Phenanthrene - Tetralin - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Secondary alcohol - Ketone - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descripción: 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