(11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate | CAS No. 86401-80-1

(11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate

Basic Information

CAS Number

86401-80-1

Molecular Formula

C23H30O7

Molecular Weight

418.49 g/mol

AD

Basic Physical Properties

Boiling Point

593.3°C at 760 mmHg

Density

1.34

Flash Point

202.5°C

Refractive Index

1.629

CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O

InChI

InChI=1S/C23H30O7/c1-12(24)30-11-19(28)23(29)18(27)9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,23)3/h6-8,15-18,20,26-27,29H,4-5,9-11H2,1-3H3/t15-,16-,17-,18+,20+,21-,22-,23-/m0/s1

InChIKey

AAMGSJIEPUHTOK-GIMXSRRZSA-N

LogP

1.0991999999999995

Topological Polar Surface Area

121.13000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

860

Synonyms & References

English

  • 16alpha-Hydroxyprednisonlone acetate
  • 11b,16a,17,21-Tetrahydroxy-pregna-1,4-diene-3,20-dione 21-acetate
  • 16a-Hydroxyprednisolone Acetate
  • 16A-HYDROOXYPREDNISOLONE ACETATE
  • 16α-Hydroxyprednisonlone acetate
  • 11b,16a,17 a,21-tetrahydroxylpregn-1,4diene-3,20-dione-21-acetate
  • 16A-HYDROXY-PREDNISONLONE ACETATE
  • 16alpha-Hydroxy-prednisolone acetate
  • 16ALPHA-HYDROXYPRENISOLONEACETATE
  • Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11,16,17-trihydroxy-,(11b,16a)
  • [2-Oxo-2-[(8S,9R,10R,11S,13S,14R,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15
  • 16α-Hydroxyprednisolone Acetate
  • 2-Oxo-2-((8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate

MDL Number

MFCD08460167

Customs Code

2918199090

FAQ

What are the physical and chemical properties of (11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS: 86401-80-1)?

(11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate is an organic compound with a molecular weight of approximately 426.45 g/mol. It has a crystalline form at room temperature and is poorly soluble in water. The compound exhibits a high reactivity due to the presence of hydroxyl and carbonyl groups, making it susceptible to hydrolysis and oxidation. It is stable under anhydrous and neutral conditions but should be stored under conditions that minimize moisture and oxygen exposure.

How is (11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS: 86401-80-1) typically synthesized?

(11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate is typically synthesized through a multi-step process involving the conversion of progesterone to the target compound. The reaction involves acetylation and subsequent hydroxylation steps, with careful control of reaction conditions to achieve high yields and selectivity. Commonly used catalysts include acid catalysts and enzymes, and the process is optimized for efficiency and environmental friendliness.

What industries use (11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS: 86401-80-1)?

(11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate is primarily used in the pharmaceutical industry for the synthesis of progestogens and other steroid compounds. It is also of interest in research and development for its potential applications in biomedical sensors and semiconductors. Its use in polymer science for the development of novel biomaterials is also under investigation.

What precautions should be taken when handling (11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate (CAS: 86401-80-1)?

When handling (11beta,16alpha)-11,16,17-Trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be handled in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. A safety data sheet (SDS) should be consulted for detailed handling and emergency procedures. Storage should be in a cool, dry place away from moisture and heat sources.

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