Account (3R,5S,5aR,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5,10-bis(benzoyloxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7-triyl triacetate
- Catalog No. :
- ACCRTJ149
- CAS No. :
- 1631992-80-7
- Molecular Formula :
- C37H42O14
- Molecular Weight :
- 710.73
IUPAC Name:(3R,5S,5aR,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5,10-bis(benzoyloxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7-triyl triacetate
![(3R,5S,5aR,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5,10-bis(benzoyloxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7-triyl triacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,5S,5aR,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5,10-bis(benzoyloxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7-triyl triacetate |
|---|---|
| IUPAC Name | (3R,5S,5aR,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5,10-bis(benzoyloxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7-triyl triacetate |
| Molecular Formula | C37H42O14 |
| Molecular Weight | 710.73 |
| SMILES | CC(=O)OC[C@@]12[C@H](OC(=O)C3=CC=CC=C3)C(OC(C)=O)[C@@H]3[C@@H](OC(=O)C4=CC=CC=C4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O |
| InChI Key | JLOITWJNBYVRLW-WYDQXPCISA-N |
| Synonym | 5aH-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7-triacetate 5,10-dibenzoate, (3R,4S,5S,5aR,6R,7S,9S,9aS,10R)-;Angulatin K |
| CAS No. | 1631992-80-7 |
Synthetic Route by SureRoute
2. ACCRTJ149 Molecular Building Block Synthetic Route
(3R,5S,5aS,6R,7S,9S,9aS,10R)-5a-(acetoxymethyl)-5-(benzoyloxy)-9-hydroxy-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7,10-tetrayl tetraacetate
(3R,4R,5S,5aS,6R,7S,9R,9aS,10R)-5a-(acetoxymethyl)-5-(benzoyloxy)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-4,6,7,10-tetrayl tetraacetate
(3S,4S,5S,5aS,6R,7S,9S)-5-(benzoyloxy)-9,10-dihydroxy-4-(isobutyryloxy)-5a-((isobutyryloxy)methyl)-2,2,9-trimethyloctahydro-2H-3,9a-methanobenzo[b]oxepine-6,7-diyl diacetate