Account (3R,5R,5aS,6R,7S,9S,9aS,10R)-5-((furan-3-carbonyl)oxy)-9-hydroxy-7-(isobutyryloxy)-5a-((isobutyryloxy)methyl)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,10-triyl triacetate
- Catalog No. :
- ACTJVZ334
- CAS No. :
- 142546-07-4
- Molecular Formula :
- C34H46O15
- Molecular Weight :
- 694.73
IUPAC Name:(3R,5R,5aS,6R,7S,9S,9aS,10R)-5-((furan-3-carbonyl)oxy)-9-hydroxy-7-(isobutyryloxy)-5a-((isobutyryloxy)methyl)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,10-triyl triacetate
![(3R,5R,5aS,6R,7S,9S,9aS,10R)-5-((furan-3-carbonyl)oxy)-9-hydroxy-7-(isobutyryloxy)-5a-((isobutyryloxy)methyl)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,10-triyl triacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,5R,5aS,6R,7S,9S,9aS,10R)-5-((furan-3-carbonyl)oxy)-9-hydroxy-7-(isobutyryloxy)-5a-((isobutyryloxy)methyl)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,10-triyl triacetate |
|---|---|
| IUPAC Name | (3R,5R,5aS,6R,7S,9S,9aS,10R)-5-((furan-3-carbonyl)oxy)-9-hydroxy-7-(isobutyryloxy)-5a-((isobutyryloxy)methyl)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,10-triyl triacetate |
| Molecular Formula | C34H46O15 |
| Molecular Weight | 694.73 |
| SMILES | CC(=O)OC1[C@@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@](COC(=O)C(C)C)([C@H]1OC(=O)C1=COC=C1)[C@@H](OC(C)=O)[C@@H](OC(=O)C(C)C)C[C@]3(C)O |
| InChI Key | OTIDWXHYGSOAAU-QDBFJPMYSA-N |
| Synonym | Angulatin B;3-Furancarboxylic acid, (3R,4R,5R,5aS,6R,7S,9S,9aS,10R)-4,6,10-tris(acetyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-7-(2-methyl-1-oxopropoxy)-5a-[(2-methyl-1-oxopropoxy)methyl]-2H-3,9a-methano-1-benzoxepin-5-yl ester |
| CAS No. | 142546-07-4 |
Synthetic Route by SureRoute
2. ACTJVZ334 Molecular Building Block Synthetic Route
(3R,5R,5aS,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5-((furan-3-carbonyl)oxy)-9-hydroxy-4-(isobutyryloxy)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-6,7,10-triyl triacetate
(3S,4R,5R,5aS,6R,7S,9S,9aS)-6,7-diacetoxy-5a-(acetoxymethyl)-9,10-dihydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,5-diyl bis(furan-3-carboxylate)
(3R,4R,5R,5aS,6R,7S,9S,9aS)-5a-(acetoxymethyl)-4,5-bis((furan-3-carbonyl)oxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-6,7,10-triyl triacetate