Account (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
- Catalog No. :
- ACYFVG691
- CAS No. :
- 50722-38-8
- Molecular Formula :
- C17H22O7
- Molecular Weight :
- 338.36
IUPAC Name:(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-7'-oxo-2',3',4',5',5a',6',7',9a'-octahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-3'-yl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C17H22O7 |
| Molecular Weight | 338.36 |
| SMILES | CC(=O)O[C@@H]1C[C@]2(C)[C@@]3(CO)[C@H](O)C(=O)C(C)=C[C@H]3O[C@H]1[C@@]21CO1 |
| InChI Key | ADFIQZBYNGPCGY-HTJQZXIKSA-N |
| Synonym | 3-acetyldeoxynivalenol solution;3α-acetoxy-7α,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one;3-ACETYL-DEOXYNIVALENOL SOLUTION (100Μ3α-Acetylvomitoxin, 3-AcDON, 3α-Acetoxy-7α,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one;3α-Acetylvomitoxin, 3-AcDON, 3-ADON, 3α-Acetoxy-7α,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one;12,13-Epoxy-3α-acetoxy-7α,15-dihydroxytrichothec-9-en-8-one;3α-Acetoxy-7α,15-dihydroxy-12,13-epoxytrichotheca-9-ene-8-one;DON-3-acetate |
| CAS No. | 50722-38-8 |
Synthetic Route by SureRoute
2. ACYFVG691 Molecular Building Block Synthetic Route
15-Acetoxy-3alpha,7alpha-dihydroxy-12,13-epoxytrichothec-9-en-8-one
(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