36519-25-2
Product Name:
NEOSOLANIOL
Formula:
C19H26O8
Synonyms:
4β,15-Diacetoxy-3α,8α-dihydroxy-12,13-epoxytrichothec-9-ene;8-Hydroxydiacetoxyscirpenol;8-Hydroxydiacetoxyscirpenol solution;NEO;Neosolaniol from Fusarium sp.
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 198 Ų [M+NH4]+ [CCS Type: TW, Method: calibrated with polyalanine] |
|---|---|
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P262:Do not get in eyes, on skin, or on clothing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 382.4 g/mol |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 382.16276778 g/mol |
| Monoisotopic Mass | 382.16276778 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 719 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
Neosolaniol is a natural product found in Fusarium and Fusarium sporotrichioides with data available.