CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 3214.9 3150 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 394.6 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 394.323565959 g/mol |
| Monoisotopic Mass | 394.323565959 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 765 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Dehydroergosterol is a phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- 9,11- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a biomarker and a metabolite. It is an ergostanoid, a 3beta-sterol, a member of phytosterols and a 3beta-hydroxy-Delta(5)-steroid.