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Ethinyl estradiol

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Identification
Molecular formula
C20H24O2
CAS number
57-63-6
IUPAC name
(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
State
State

At room temperature, ethinyl estradiol exists as a solid due to its relatively high melting point compared to typical ambient conditions. As a crystalline powder, it does not exhibit fluid properties.

Melting point (Celsius)
182.00
Melting point (Kelvin)
455.15
Boiling point (Celsius)
545.00
Boiling point (Kelvin)
818.15
General information
Molecular weight
296.41g/mol
Molar mass
296.4050g/mol
Density
1.2325g/cm3
Appearence

Ethinyl estradiol is a white to light yellow crystalline powder. It is a synthetic and potent estrogen with significant activity in the human body. The compound is known for being sensitive to light and oxidation, requiring appropriate storage conditions.

Comment on solubility

Solubility of (13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

The solubility profile of the compound (13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is of particular interest due to its complex structure. Understanding its solubility characteristics can provide valuable insights into its potential applications and behavior in different environments.

Key Points on Solubility:

  • Solvent Compatibility: The solubility of this compound is likely influenced by the polarity of the solvent. Non-polar solvents may have limited capacity to dissolve it owing to its bulky hydrophobic structure.
  • Temperature Effects: Like many organic compounds, the solubility may increase with temperature. Elevated temperatures could disrupt intermolecular forces and enhance dissolving processes.
  • Aqueous Solubility: It is probable that this compound exhibits low solubility in water due to its hydrophobic characteristics. Compounds with extensive hydrophobic regions generally struggle to interact favorably with water molecules.
  • pH Influence: If the compound has ionizable groups, solubility may vary with pH. In such cases, understanding the ionization states can be critical for predicting solubility in various environments.
  • Potential for Derivatization: Modifying the structure could enhance solubility. For example, functionalization or the addition of polar groups may improve compatibility with aqueous and organic solvents.

In summary, while the solubility of (13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is influenced by multiple factors, comprehensive experimental studies would provide precise insights into its solubility behavior across different conditions and solvents.

Interesting facts

Interesting Facts About (13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

This compound, a sophisticated steroid derivative, has been a subject of fascination in the field of chemistry due to its complex structure and potential biological activity.

Key Characteristics

  • Steroidal Framework: The compound features a steroid-like structure, which is significant as many steroids play vital roles in biological systems, including signaling and regulatory functions.
  • Ethynyl Substitution: The presence of the ethynyl group enhances its reactivity, which opens avenues for further chemical modifications, making it a valuable target for synthetic chemistry.
  • Configuration: The specified configurations at the stereocenters (13S, 17R) profoundly influence the compound's biological activity and interactions with biological receptors.

Biological Relevance

Due to its complex structure, the compound could exhibit:

  • Potential use in therapeutic applications, particularly in hormone replacement therapies.
  • Interactions with estrogen receptors, which makes it a candidate for studying hormonal regulation.
  • Role in understanding the synthesis of other important steroid compounds, contributing to both medicinal and synthetic organic chemistry.

Research Implications

Ongoing research into compounds like this one drives the search for new pharmaceuticals. As noted in chemical literature, “the synthesis and characterization of unique steroid derivatives open pathways to novel therapeutic agents.” Such studies not only expand our understanding of steroidal compounds but also enhance medicinal chemistry methodologies.

In conclusion, (13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is more than just a compound with a complex name; it represents a fascinating area of study with vast implications in both research and application.

Synonyms
(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
17alpha-Ethynylestradiol;Ethynylestradiol
Spectrum_001060
Spectrum2_001004
Spectrum3_000427
Spectrum4_000546
Spectrum5_001043
BSPBio_002014
KBioGR_001211
KBioSS_001540
DivK1c_000520
SCHEMBL799867
SPECTRUM1500291
SPBio_001127
CHEMBL334967
CHEBI:91483
HMS501J22
KBio1_000520
KBio2_001540
KBio2_004108
KBio2_006676
KBio3_001234
NINDS_000520
HMS1920M20
HMS2091D21
HMS3393I19
Pharmakon1600-01500291
CCG-40222
NSC757027
NSC-757027
IDI1_000520
NCGC00178863-01
SBI-0051376.P003
AB00051989_02
SR-05000001625
SR-05000001625-1
BRD-A02367930-001-02-9
BRD-A02367930-001-03-7
BRD-A02367930-001-04-5
Q27163322