CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 218.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 410.7 g/mol |
|---|---|
| XLogP3 | 8.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 410.354866087 g/mol |
| Monoisotopic Mass | 410.354866087 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 714 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Stigmasta-4,22-dien-3-one is a steroid. It derives from a hydride of a stigmastane.