Account (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
- Catalog No. :
- ACUPXA243
- CAS No. :
- 88054-24-4
- Molecular Formula :
- C15H20O5
- Molecular Weight :
- 280.32
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 |
| SMILES | C=C1[C@@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)C[C@H]2O |
| InChI Key | ZACLXWTWERGCLX-MDUHGFIHSA-N |
| CAS No. | 88054-24-4 |
Synthetic Route by SureRoute
2. ACUPXA243 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-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