COMPUTED DESCRIPTORS
| Molecular Weight | 418.6 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.30830982 g/mol |
| Monoisotopic Mass | 418.30830982 g/mol |
| Topological Polar Surface Area | 74.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 689 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid is used as an obeticholic acid intermediate.