17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate

• CAS: 2701-50-0
• Catalog Number: ACM2701500
• Category: Steroidal Compounds
• Molecular Weight: 382.49
• Molecular Formula: C₂₄H₃₀O₄
• Synonyms: 1Alpha,2Alpha-Methylene-3,20-dioxo-pregna-4,6-dien-17Alpha-acetoxy
• IUPAC Name: 6-Deschloro Cyproterone Acetate
• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2C=CC4=CC(=O)C5CC5C34C)C)OC(=O)C
• InChI Key: ARUYPSAYKHCXNE-UQNNAPNASA-N
• Boiling Point: 518.4ºC at 760 mmHg
• Melting Point: 280-281ºC
• Flash Point: 224.7ºC
• Density: 1.21
• Exact Mass: 382.21400

Custom Q&A

What is the molecular formula of 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate according to the reference?

The molecular formula is C24H30O4.

When was the PubChem CID for 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate created?

It was created on 2007-02-08.

What is the IUPAC name of 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate according to the reference?

The IUPAC name is [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.0 2,8 .0 3,5 .0 12,16 ]octadeca-7,9-dienyl] acetate.

What is the Canonical SMILES for 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

The Canonical SMILES is CC(=O)C1(CCC2C1(CCC3C2C=CC4=CC(=O)C5CC5C34C)C)OC(=O)C.

What is the InChIKey for 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

The InChIKey is ARUYPSAYKHCXNE-UQNNAPNASA-N.

How many hydrogen bond acceptor counts are there in 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

There are 4 hydrogen bond acceptor counts.

What is the exact mass of 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

The exact mass is 382.21440943 g/mol.

What is the topological polar surface area of 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

The topological polar surface area is 60.4Ų.

How many heavy atoms are there in the molecular structure of 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

There are 28 heavy atoms.

How many defined atom stereocenter counts are there in 17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate?

There are 8 defined atom stereocenter counts.