Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)-

Basic Information

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CAS Number

1778-02-5

Molecular Formula

C23H34O3

Molecular Weight

358.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

149.0 to 152.0 deg-C

Boiling Point

430.93°C (rough estimate)

Flash Point

194.2 ºC

Refractive Index

1.4700 (estimate)

Specific Rotation

22 º (c=2, C2H5OH 23 ºC)

SMILES

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CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C

InChI

InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1

InChIKey

CRRKVZVYZQXICQ-RJJCNJEVSA-N

LogP

5.086100000000005

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

650

Synonyms & References

English

17-ACETYL-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-
CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE
20-OXOPREGN-5-EN-3B-YL ACETATE
3 BETA,21-DIHYDROXY-5-PREGNEN-20-ONE-3-ACETATE
3BETA-ACETOXY-5-PREGNEN-20-ONE
3-BETA-HYDROXY-5-PREGNEN-20-ONE 3-ACETATE
5-PREGNEN-3BETA-OL-20-ONE 3-ACETATE
5-PREGNEN-3BETA-OL-20-ONE ACETATE
ACETIC ACID (3S,8S,9S,10R,13S,14S,17S)-17-ACETYL-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ESTER
ACETOXYPREGNENOLONE
PREGNENOLONE ACETATE
20-Oxopregn-5-en-3beta-yl acetate
20-Oxopregn-5-en-3-yl acetate
5-Allopregnene-3beta-ol-20-one acetate
5-Pregnenolone acetate
Artivis
Enescorb
Pregenolone acetate
Pregn-5-en-20-one, 3-(acetyloxy)-, (3beta)-
Pregn-5-en-20-one, 3beta-hydroxy-, acetate
Pregnenolone-3-acetate
3β-Acetoxy-5-pregnen-20-one
5-Pregnen-3β-ol-20-one acetate
Previsone
Sharmone
Antofin
MLS000069411
0G0WWV404B
CRRKVZVYZQXICQ-RJJCNJEVSA-N
3beta-Acetoxy-5-pregnen-20-one
5-Pregnen-3beta-ol-20-one acetate

MDL Number

MFCD00003627

Customs Code

2937290090

FAQ

What is Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5)?

Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5) is a steroid compound with the chemical formula C21H32O3. It features an acetyloxy group at the C3 position and a β configuration, making it a key intermediate in pharmaceutical synthesis. This compound is known for its stability and solubility in organic solvents, with a molecular weight of 328.48 g/mol.

What are the main uses of Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5)?

Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5) is primarily used in pharmaceutical research as a precursor for hormone-related medications. It also serves in industrial applications for chemical synthesis and in research for studying steroid metabolism and biological activity.

Is Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5) safe?

Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5) is generally considered safe when handled properly, but it requires caution. Limited toxicity data exists, though standard safety measures like PPE and proper ventilation are recommended. It is classified under GHS as a potential hazard for prolonged exposure, necessitating adherence to regulatory guidelines.

How should Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5) be stored?

Pregn-5-en-20-one, 3-(acetyloxy)-, (3β)- (CAS: 1778-02-5) should be stored in a cool, dry, and dark place, ideally at 2-8°C. Keep in a sealed, airtight container made of inert material to prevent contamination. Avoid exposure to moisture, heat, or direct light to maintain stability and prolong shelf life.