| Formula |
C15H20O6 |
| IUPAC Name |
(1r,2r,3s,7r,9r,10r,12s)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one |
| Molecular Mass |
296.316 g·mol−1 |
| Heat of Formation |
-875.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.04 ± 1.08 D |
| Volume |
331.07 Å 3 |
| Surface Area |
266.71 Å 2 |
| HOMO Energy |
-9.92 ± 0.55 eV |
| LUMO Energy |
-0.62 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 12,13-epoxy-3-alpha,7-alpha,15-trihydroxy-9-trichothecen-8-one
- 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
- 4-deoxynivalenol
- 4-desoxynivalenol
- dehydronivalenol
- deoxynivalenol solution
- desoxynivalenol
- rd toxin
- trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,7-alpha)-
- vomitoxin
|
| CAS Number(s) |
- 10-24-2
- 115825-61-1
- 50722-37-7
- 51481-10-8
|
| InChIKey |
LINOMUASTDIRTM-QGRHZQQGSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
O
|
| |
|
