Account (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
- Catalog No. :
- ACFCJD075
- CAS No. :
- 1000784-46-2
- Molecular Formula :
- C32H42O15
- Molecular Weight :
- 666.67
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C32H42O15 |
| Molecular Weight | 666.67 |
| SMILES | CC(=O)OC[C@]12[C@@H](OC(=O)C3=COC=C3)C(OC(=O)C(C)C)[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 | BSGVOIAUGJYRQO-JHUQJIJHSA-N |
| Synonym | 3-Furancarboxylic acid, (3R,4R,5R,5aS,6R,7S,9S,9aS,10R)-6,7,10-tris(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-4-(2-methyl-1-oxopropoxy)-2H-3,9a-methano-1-benzoxepin-5-yl ester;Angulatin G;Celangulatin E,NW 30 |
| CAS No. | 1000784-46-2 |
Synthetic Route by SureRoute
2. ACFCJD075 Molecular Building Block Synthetic Route
(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
(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