17-Hydroxypregn-4-ene-3,11,20-trione

• Catalog Number: ACM1882822
• Product Name: 17-Hydroxypregn-4-ene-3,11,20-trione
• CAS: 1882-82-2
• Category: Steroidal Compounds
• Synonyms: 17a-Hydroxy-4-pregnaene-3,11,20-trione;21-Deoxycortisone
• IUPAC Name: (8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
• Molecular Weight: 344.44
• Molecular Formula: C₂₁H₂₈O₄
• Canonical SMILES: CC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O
• InChI Key: PUKLDDOGISCFCP-JSQCKWNTSA-N
• Boiling Point: 524.6ºC at 760mmHg
• Flash Point: 285.1ºC
• Density: 1.21g/cm³
• EC Number: 217-541-5
• Exact Mass: 344.19900

Custom Q&A

What is the molecular formula of 17-Hydroxypregn-4-ene-3,11,20-trione?

The molecular formula is C21H28O4.

What is the molecular weight of 17-Hydroxypregn-4-ene-3,11,20-trione?

The molecular weight is 344.4 g/mol.

What is the IUPAC name of 17-Hydroxypregn-4-ene-3,11,20-trione?

The IUPAC name is (8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione.

What is the InChI of 17-Hydroxypregn-4-ene-3,11,20-trione?

The InChI is InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1.

What is the InChIKey of 17-Hydroxypregn-4-ene-3,11,20-trione?

The InChIKey is PUKLDDOGISCFCP-JSQCKWNTSA-N.

What is the canonical SMILES of 17-Hydroxypregn-4-ene-3,11,20-trione?

The canonical SMILES is CC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O.

What are the synonyms of 17-Hydroxypregn-4-ene-3,11,20-trione?

The synonyms are 21-Deoxycortisone, 1882-82-2, 21-Deoxy Cortisone, and deoxycortisone.

What is the CAS number of 17-Hydroxypregn-4-ene-3,11,20-trione?

The CAS number is 1882-82-2.

What is the complexity of 17-Hydroxypregn-4-ene-3,11,20-trione?

The complexity is 707.