Cas no 1061-54-7 (Spirost-5-en-3-ol,acetate, (3b,25R)-)

Technical Introduction: Spirost-5-en-3-ol, acetate, (3β,25R)- is a steroidal derivative characterized by its spirostan skeleton with a 3β-acetoxy group and a Δ5 double bond. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility as a precursor for steroidal drugs and bioactive molecules. The (25R) configuration ensures stereochemical specificity, which is critical for targeted applications. Its acetate group enhances stability and solubility, facilitating handling and derivatization. The compound’s well-defined structure makes it valuable for studies in steroid metabolism, hormone analogs, and medicinal chemistry. High purity and consistent quality are essential for reproducible results in research and development.
Spirost-5-en-3-ol,acetate, (3b,25R)- structure
1061-54-7 structure
Product Name:Spirost-5-en-3-ol,acetate, (3b,25R)-
CAS No:1061-54-7
MF:C29H44O4
MW:456.657269477844
CID:172548
PubChem ID:101952
Update Time:2025-06-11

Spirost-5-en-3-ol,acetate, (3b,25R)- Chemical and Physical Properties

Names and Identifiers

    • Spirost-5-en-3-ol,acetate, (3b,25R)-
    • (20R,25R)-spirost-5-en-3beta-yl acetate
    • DIOSGENIN, ACETATE
    • (3beta,25R)-spirost-5-en-3-yl acetate
    • spirost-5-en-3-yl acetate
    • (25R)-Spirost-5-en-3β-ol acetate
    • (25R)-3β-Acetoxy-spirostane-5-ene
    • 16-Dehydropregnenolone Acetate Impurity G
    • PEK7912LLC
    • Spirost-5-en-3-ol, acetate, (3.beta.,25R)-
    • 3Beta-Acetyldiosgenin
    • NSC 15490
    • Q27286509
    • [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate
    • [(1S,2S,4S,5'R,6R,7R,8R,9S,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] acetate
    • CHEMBL1915881
    • EINECS 213-897-0
    • 1061-54-7
    • UNII-PEK7912LLC
    • NSC-15490
    • SCHEMBL6824138
    • Diosgenin acetate
    • (25R)-Spirost-5-en-3beta-ol acetate
    • Inchi： 1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
    • InChI Key： CZCROZIJKBXZDP-IKEOEMBBSA-N
    • SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O

Computed Properties

  • Exact Mass: 456.32412
  • Monoisotopic Mass: 456.32395988g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 2
  • Complexity: 851
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.2
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76

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Additional information on Spirost-5-en-3-ol,acetate, (3b,25R)-

Introduction to Spirost-5-en-3-ol, acetate, (3b,25R)- (CAS No. 1061-54-7)

Spirost-5-en-3-ol, acetate, (3b,25R)- (CAS No. 1061-54-7) is a steroidal compound that has garnered significant attention in the fields of organic chemistry and medicinal research. This compound is a derivative of spirostanol, a class of steroids characterized by their unique spirocyclic structure. The acetate ester form of this compound adds an additional layer of complexity and functionality, making it a valuable molecule for various applications in pharmaceuticals and biotechnology.

The chemical structure of Spirost-5-en-3-ol, acetate, (3b,25R)- consists of a spirostanol backbone with an acetate group attached to the C-3 position. The (3b,25R) stereochemistry is crucial for its biological activity and pharmacological properties. This specific configuration ensures that the molecule can interact effectively with its target receptors or enzymes, leading to desired therapeutic effects.

In recent years, extensive research has been conducted to explore the potential applications of Spirost-5-en-3-ol, acetate, (3b,25R)-. One of the most promising areas is its use in hormone replacement therapy (HRT). Studies have shown that this compound can mimic the effects of natural hormones, particularly in regulating estrogen levels. This makes it a potential candidate for treating conditions such as menopause-related symptoms and osteoporosis.

Beyond HRT, Spirost-5-en-3-ol, acetate, (3b,25R)- has also been investigated for its anti-inflammatory properties. In vitro and in vivo studies have demonstrated that this compound can effectively reduce inflammation by modulating the activity of pro-inflammatory cytokines and enzymes. This property could be beneficial in treating inflammatory diseases such as arthritis and inflammatory bowel disease (IBD).

Another area of interest is the potential use of Spirost-5-en-3-ol, acetate, (3b,25R)- in cancer therapy. Preliminary studies have indicated that this compound can inhibit the growth of certain cancer cells by inducing apoptosis and disrupting cell cycle progression. While more research is needed to fully understand its mechanisms and efficacy in this context, these findings are promising and warrant further investigation.

The synthesis of Spirost-5-en-3-ol, acetate, (3b,25R)- involves a series of well-defined chemical reactions. Starting from readily available steroidal precursors, chemists can achieve high yields and purity through optimized synthetic routes. The key steps include the introduction of the acetate group at the C-3 position and ensuring the correct stereochemistry at the C-25 position. Advanced techniques such as chiral catalysts and asymmetric synthesis have been employed to achieve these goals efficiently.

In terms of safety and toxicity, extensive preclinical studies have been conducted on Spirost-5-en-3-ol, acetate, (3b,25R)-. These studies have shown that the compound is generally well-tolerated at therapeutic doses with minimal side effects. However, as with any new pharmaceutical agent, ongoing monitoring and long-term safety assessments are essential to ensure its safe use in clinical settings.

The future prospects for Spirost-5-en-3-ol, acetate, (3b,25R)- are promising. Ongoing clinical trials are evaluating its efficacy in various therapeutic areas, including hormone replacement therapy and anti-inflammatory treatments. Additionally, researchers are exploring its potential as a lead compound for developing new drugs with enhanced properties.

In conclusion, Spirost-5-en-3-ol, acetate, (3b,25R)- (CAS No. 1061-54-7) is a versatile steroidal compound with significant potential in multiple therapeutic applications. Its unique chemical structure and biological activity make it an important molecule for further research and development in the fields of organic chemistry and medicinal science.

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