Account (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
- Catalog No. :
- ACEJGU200
- CAS No. :
- 116159-73-0
- Molecular Formula :
- C32H40O14
- Molecular Weight :
- 648.66
IUPAC Name:(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,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 structure diagram](/images/productimg/no-pic.svg)
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
No pack options available.
Products of AiFChem are all designed for scientific research only. Under no circumstances do we provide products or services for animal or personal utilization.
0 Reviews:View Reviews
Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C32H40O14 |
| Molecular Weight | 648.66 |
| SMILES | CC(=O)OC[C@]12[C@H](OC(=O)C3=CC=CC=C3)C(OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O |
| InChI Key | SIEZSHWOPJNWFA-YRJKAWBZSA-N |
| Synonym | 2H-3,9a-Methano-1-benzoxepin-4,5,6,7,9,10-hexol,5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 4,6,7,10-tetraacetate5-benzoate, (3R,4R,5S,5aS,6R,7S,9S,9aS,10R)-;Celangulin;CelangulinQ: What is Celangulin Q: What is the CAS Number of Celangulin;AngulatinJ;Celangulatin,Angulatin J |
| CAS No. | 116159-73-0 |
Synthetic Route by SureRoute
2. ACEJGU200 Molecular Building Block Synthetic Route
(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,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