42206-94-0
Product Name:
Acetyl-trans-resveratrol
Formula:
C20H18O6
Synonyms:
trans-3,5,4ʹ-Triacetylstilbene, 3,5,4ʹ-Tri-O-acetylresveratrol;Resveratrol, Triacetyl - CAS 42206-94-0 - Calbiochem
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 171.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 354.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 354.11033829 g/mol |
| Monoisotopic Mass | 354.11033829 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 508 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Acetic acid [4-[2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] ester is a stilbenoid.