Account (1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-((E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate
- Catalog No. :
- ACGTDJ838
- CAS No. :
- 905929-95-5
- Molecular Formula :
- C33H35NO7
- Molecular Weight :
- 557.64
IUPAC Name:(1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-((E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate
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Product Information
| Product Name | (1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-((E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate |
|---|---|
| IUPAC Name | (1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-((E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate |
| MDL No. | MFCD14155632 |
| Molecular Formula | C33H35NO7 |
| Molecular Weight | 557.64 |
| SMILES | CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)C1=CN=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 |
| InChI Key | QSKVSBUCFQUTSW-IWSWVWQKSA-N |
| Synonym | Scutebarbatine B;3-Pyridinecarboxylic acid, (1R,2S,3R,4R,4aS,8aR)-2-(benzoyloxy)-4-[(1E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1-naphthalenyl ester |
| CAS No. | 905929-95-5 |
Synthetic Route by SureRoute
2. ACGTDJ838 Molecular Building Block Synthetic Route
(1R,2S,3R,4R,4aS,8aR)-1-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-4-((E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl nicotinate
(1R,2S,3R,4R,4aS,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-4-((E)-2-(5-oxo-2,5-dihydrofuran-3-yl)vinyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate
(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate