(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

• CAS: 2276-93-9
• Catalog Number: ACM2276939
• Category: Main Products
• Molecular Weight: 376.0
• Molecular Formula: C24H40O3
• Appearance: Solid

Custom Q&A

What is the molecular formula of isoallolithocholic acid?

The molecular formula of isoallolithocholic acid is C24H40O3.

What is the molecular weight of isoallolithocholic acid?

The molecular weight of isoallolithocholic acid is 376.6 g/mol.

What is the IUPAC name of isoallolithocholic acid?

The IUPAC name of isoallolithocholic acid is (4R)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.

What is the Canonical SMILES representation of isoallolithocholic acid?

The Canonical SMILES representation of isoallolithocholic acid is CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.

What is the InChIKey of isoallolithocholic acid?

The InChIKey of isoallolithocholic acid is SMEROWZSTRWXGI-XBESLWPFSA-N.

How many hydrogen bond donor count does isoallolithocholic acid have?

Isoallolithocholic acid has 2 hydrogen bond donor count.

What is the XLogP3-AA value of isoallolithocholic acid?

The XLogP3-AA value of isoallolithocholic acid is 6.3.

How many defined atom stereocenter count does isoallolithocholic acid have?

Isoallolithocholic acid has 9 defined atom stereocenter count.

What is the topological polar surface area of isoallolithocholic acid?

The topological polar surface area of isoallolithocholic acid is 57.5Ų.

What is the complexity value of isoallolithocholic acid?

The complexity value of isoallolithocholic acid is 574.