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Spirostan

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Identification
Molecular formula
C27H38O4
CAS number
4217-88-3
IUPAC name
S-(10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) ethanethioate
State
State

At room temperature, spirostan compounds typically exist in a solid state.

Melting point (Celsius)
141.00
Melting point (Kelvin)
414.15
Boiling point (Celsius)
256.00
Boiling point (Kelvin)
529.15
General information
Molecular weight
446.60g/mol
Molar mass
446.6400g/mol
Density
1.0100g/cm3
Appearence

Spirostan compounds are typically found as crystalline solids, appearing as white or off-white crystals. They may sometimes appear as a fine powder or crystalline powder depending on purity and processing.

Comment on solubility

Solubility Profile of S-(10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) ethanethioate (C27H38O4)

The solubility of S-(10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) ethanethioate demonstrates some intriguing characteristics worth noting:

  • Non-polar Solvents: This compound may exhibit higher solubility in non-polar solvents such as hexane or toluene due to its relatively hydrophobic structure.
  • Polar Solvents: Conversely, the solubility in polar solvents like water is expected to be low, attributed to the compound’s bulky and complex molecular structure, which hinders interaction with polar molecules.
  • Environmental Considerations: Its solubility behavior suggests that this compound may have limited mobility in aqueous environments, making it less likely to contaminate water sources.
  • Bioavailability: The low solubility in polar environments can influence its bioavailability and absorption in biological systems, which is crucial for pharmacological applications.

In summary, the solubility profile of this compound indicates that it is likely to be significantly soluble in non-polar environments while exhibiting limited solubility in polar solvents. This behavior is indicative of its hydrophobic nature and complex structural properties. Understanding the solubility characteristics of such a compound can be essential in various applications, including drug formulation and environmental studies.

Interesting facts

Interesting Facts About S-(10,13-Dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) Ethanethioate

This compound presents a fascinating case study for chemists due to its complex structure and diverse applications. Often encountered in organic synthesis and medicinal chemistry, it showcases the beauty of molecular design through its intricate spirocyclic framework. Here are some intriguing aspects:

  • Spiro Compounds: The presence of a spirocyclic system adds an element of three-dimensionality that can significantly influence the compound’s reactivity and interactions with biological systems.
  • Potential Biological Activity: Many compounds with similar structures exhibit notable biological properties, including anticancer and anti-inflammatory activities, making this compound a candidate for further pharmacological research.
  • Functional Groups: The compound contains both carbonyl and thioate functionalities, which can engage in various chemical reactions, such as nucleophilic attacks, and contribute to its potential reactivity.
  • Natural Product Mimicry: The complex arrangement of atoms may allow this compound to mimic naturally occurring products, potentially leading to novel therapeutic agents derived from natural templates.
  • Chirality: Depending on the stereochemistry of specific centers, this compound may exist in multiple isomeric forms, which is critical in drug design, as different isomers can significantly differ in their biological activities.

In conclusion, S-(10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) ethanethioate is more than just a chemical formula; it embodies a wealth of knowledge in organic chemistry and potential in pharmacology. As with many compounds of intricate molecular architecture, the exploration of its properties could unearth new pathways in drug discovery and materials science.

Synonyms
MLS000678252
SMR000285350
Abbolactone
Duraspiron
Spiroctanie
Spirolakton
Diatensec
Lacalmin
Lacdene
Laractone
Nefurofan
Sagisal
Sincomen
Spiroderm
Spirolone
Suracton
4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
Supra-puren
S-(10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate
Aldactazide (Salt/Mix)
NCGC00015948-02
S-[(7R,8R,10R,13S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate
SC 15983
Opera_ID_551
ChemDiv1_018840
Oprea1_089020
Oprea1_790628
MLS002534805
DivK1c_003624
CHEMBL1562223
SCHEMBL13152854
CHEBI:95199
HMS640I08
7-.alpha.-Acetylthio-3-oxo-17-.alpha.-pregn-4-ene-21,17-.beta.-carbolactone
LXMSZDCAJNLERA-UHFFFAOYSA-N
SPIRONOLACTONE,7-? ANALOG
HMS2637H11
HMS3362I02
17-.alpha.-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-.alpha.-mercapto-3-oxo-.gamma.-lactone
17-Hydroxy-7.alpha.-mercapto-3-oxo-17.alpha.-pregn-4-ene-21-carboxylic acid .gamma.-lactone 7-acetate
17-Hydroxy-7.alpha.-mercapto-3-oxo-17.alpha.-pregn-4-ene-21-carboxylic acid .gamma.-lactone acetate
17.alpha.-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7.alpha.-mercapto-3-oxo-, .gamma.-lactone, acetate
3'-(3-Oxo-7-.alpha.-acetylthio-17-.beta.-hydroxyandrost-4-en-17-.beta.-yl)propionic acid lactone
3-(3-Oxo-7.alpha.-acetylthio-17.beta.-hydroxy-4-androsten-17.alpha.-yl)propionic acid-.gamma.-lactone
BBL012762
STK763178
AKOS000558644
AKOS022060447
CDS1_002584
VS-03498
EN300-296098
L001221
Q27167012
F2173-0854
ethanethioic acid S-(10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl) ester