Account (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
- Catalog No. :
- ACPTRU701
- CAS No. :
- 128443-60-7
- Molecular Formula :
- C32H40O13
- Molecular Weight :
- 632.66
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C32H40O13 |
| Molecular Weight | 632.66 |
| SMILES | CC(=O)OC[C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2OC(C)=O |
| InChI Key | NFOQLYSQUBGBCQ-OWMKIBRWSA-N |
| Synonym | 2H-3,9a-Methano-1-benzoxepin-4,5,6,7,10-pentol, 5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate 5-benzoate, (3R,4R,5S,5aS,6R,7S,9R,9aS,10R)-;(1α,2α,6β,8α,9α)-1,2,6,8,12-pentakis(acetyloxy)-9-(benzoyloxy)dihydro-β-agarofuran |
| CAS No. | 128443-60-7 |
Synthetic Route by SureRoute
2. ACPTRU701 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,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
(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