4-Cholenic acid-3-one

• CAS: 1452-29-5
• Catalog Number: ACM1452295
• Category: Steroidal Compounds
• Molecular Weight: 372.54
• Molecular Formula: C₂₄H₃₆O₃

Custom Q&A

What is the molecular formula of 4-Cholenic acid-3-one?

The molecular formula is C24H36O3.

What is the molecular weight of 4-Cholenic acid-3-one?

The molecular weight is 372.5 g/mol.

What is the IUPAC name of 4-Cholenic acid-3-one?

The IUPAC name is (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.

What is the InChI of 4-Cholenic acid-3-one?

The InChI is InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h14-15,18-21H,4-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1.

What is the Canonical SMILES of 4-Cholenic acid-3-one?

The Canonical SMILES is CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4=CC(=O)CC[C@]34C)C.

What is the Lipid Maps ID (LM_ID) of 4-Cholenic acid-3-one?

The Lipid Maps ID (LM_ID) is LMST04010233.

What is the XLogP3-AA value of 4-Cholenic acid-3-one?

The XLogP3-AA value is 5.4.

How many hydrogen bond donor count does 4-Cholenic acid-3-one have?

It has 1 hydrogen bond donor count.

How many rotatable bond count does 4-Cholenic acid-3-one have?

It has 4 rotatable bond count.

What is the topological polar surface area of 4-Cholenic acid-3-one?

The topological polar surface area is 54.4Ų.