6-Dehydroestrone - ≥95% , CAS No.2208-12-0

CAS: 2208-12-0 Cat. No.: D355433 Summenformel: C₁₈H₂₀O₂ Molekulargewicht: 268.35 EG-Nummer: 636-647-6

GRADE & PURITY ≥95%

Synonyms

estra-1,3,5(10),6-tetraen-3-ol-17-one | SCHEMBL6438746 | delta6,7-Estrone | Q27115999 | 1,5(10),6-Estratetrien-3.beta.-ol-17-one | CHEBI:34339 | Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy- | 1,3,5(10),6-Estratetrien-3.beta.-ol-17-one | .delta.6,7-Estrone

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Product Application：

6-Dehydroestrone is used in the synthetic preparation of estrogens with potential inhibitory activity against lipoxygenase enzymes.

Specifications

Synonyme

estra-1,3,5(10),6-tetraen-3-ol-17-one | SCHEMBL6438746 | delta6,7-Estrone | Q27115999 | 1,5(10),6-Estratetrien-3.beta.-ol-17-one | CHEBI:34339 | Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy- | 1,3,5(10),6-Estratetrien-3.beta.-ol-17-one | .delta.6,7-Estrone

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504756512
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756512
• Kanonisches Lächeln: CC12CCC3C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
• IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
• InChIKey: WTRRIQCGCGCMQA-CBZIJGRNSA-N
• INCHI: 1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-16,19H,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
• Isomere SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O
• Molekulargewicht: 268.35
• Reaxy-Rn: 2056452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056452&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Estrane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Estrogens and derivatives
• Alternative Parents: 3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - Oxosteroid - 17-oxosteroid - Phenanthrene - 2-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Ketone - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: 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: 3-hydroxy steroid

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 268.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 268.146 Da
• Monoisotopic Mass: 268.146 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 454.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Häufig gestellte Fragen

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. Refrigerated storage is required to maintain the specified shelf life.

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 2208-12-0, the molecular formula is C18H20O2, and the molecular weight is 268.35 g/mol. InChIKey WTRRIQCGCGCMQA-CBZIJGRNSA-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.