4-Pregnene-3,11,20-trione

• CAS: 516-15-4
• Catalog Number: ACM516154
• Category: Steroidal Compounds
• Molecular Weight: 328.45
• Molecular Formula: C₂₁H₂₈O₃
• Synonyms: 11-KETOPROGESTERONE
• IUPAC Name: 17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
• Canonical SMILES: CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C
• InChI Key: WKAVAGKRWFGIEA-UHFFFAOYSA-N
• Boiling Point: 487.6ºC at 760 mmHg
• Melting Point: 170-175ºC(lit.)
• Flash Point: 209.3ºC
• Density: 1.14 g/cm³
• Appearance: Odorless, white powder.
• EC Number: 208-222-1
• Exact Mass: 328.20400
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 4-Pregnene-3,11,20-trione?

The molecular formula of 4-Pregnene-3,11,20-trione is C21H28O3.

What is the molecular weight of 4-Pregnene-3,11,20-trione?

The molecular weight of 4-Pregnene-3,11,20-trione is 328.4 g/mol.

What is the IUPAC name of 4-Pregnene-3,11,20-trione?

The IUPAC name of 4-Pregnene-3,11,20-trione is (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.

What is the InChI of 4-Pregnene-3,11,20-trione?

The InChI of 4-Pregnene-3,11,20-trione is InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1.

What is the InChIKey of 4-Pregnene-3,11,20-trione?

The InChIKey of 4-Pregnene-3,11,20-trione is WKAVAGKRWFGIEA-DADBAOPHSA-N.

What is the canonical SMILES of 4-Pregnene-3,11,20-trione?

The canonical SMILES of 4-Pregnene-3,11,20-trione is CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C.

What is the CAS number of 4-Pregnene-3,11,20-trione?

The CAS number of 4-Pregnene-3,11,20-trione is 516-15-4.

What is the EC number of 4-Pregnene-3,11,20-trione?

The EC number of 4-Pregnene-3,11,20-trione is 208-222-1.

What is the ChEMBL ID of 4-Pregnene-3,11,20-trione?

The ChEMBL ID of 4-Pregnene-3,11,20-trione is CHEMBL284253.