Account 15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
- Catalog No. :
- ACVXTK359
- CAS No. :
- 88337-96-6
- Molecular Formula :
- C17H22O7
- Molecular Weight :
- 338.36
IUPAC Name:((2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-3',6'-dihydroxy-5',8'-dimethyl-7'-oxo-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate
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Product Information
| Product Name | 15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one |
|---|---|
| IUPAC Name | ((2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-3',6'-dihydroxy-5',8'-dimethyl-7'-oxo-2',3',4',5',7',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-5a'(6'H)-yl)methyl acetate |
| Molecular Formula | C17H22O7 |
| Molecular Weight | 338.36 |
| SMILES | C[C@]1([C@@]([C@@H]2O)3COC(C)=O)C[C@@H](O)[C@H]([C@@]14CO4)O[C@]3([H])C=C(C)C2=O |
| InChI Key | IDGRYIRJIFKTAN-HTJQZXIKSA-N |
| Synonym | VOMITOXIN 15-ACETATE | Deoxynivalenol 15-Acetate | 15-Acetyl-deoxynivalenol 100 microg/mL in Acetonitrile | 15-acetyl-DON | 15-O-Acetyl-4-deoxynivalenol from Fusarium graminearum | 3.ALPHA.,7.ALPHA.)-15-(ACETYLOXY)-12,13-EPOXY-3,7-DIHYDROXYTRICHOTHEC-9-EN |
| CAS No. | 88337-96-6 |
| PubChem CID | 10382483 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H300-H311
- Precautionary Statement(s)
- P280-P301+P310+P330-P302+P352+P312-P304+P340+P311
Synthetic Route by SureRoute
2. ACVXTK359 Molecular Building Block Synthetic Route
(2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-6'-hydroxy-5a'-(hydroxymethyl)-5',8'-dimethyl-7'-oxo-2',3',4',5',5a',6',7',9a'-octahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-3'-yl acetate
(2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-6'-hydroxy-5a'-(hydroxymethyl)-5',8'-dimethyl-3'-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2',3',4',5',5a',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-7'(6'H)-one
(2S,3R,5S,5aR,6S,9aR)-3,6-dihydroxy-5a-(hydroxymethyl)-5,8-dimethyl-10-methylene-2,3,4,5,5a,9a-hexahydro-2,5-methanobenzo[b]oxepin-7(6H)-one