Account (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
- Catalog No. :
- ACECBJ678
- CAS No. :
- 176520-13-1
- Molecular Formula :
- C32H34N2O7
- Molecular Weight :
- 558.63
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD17214881 |
| Molecular Formula | C32H34N2O7 |
| Molecular Weight | 558.63 |
| SMILES | CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)C1=CN=CC=C1)[C@H](OC(=O)C1=CN=CC=C1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 |
| InChI Key | CFCKNUOZCOKYOO-JUJIBZTHSA-N |
| Synonym | Scutebarbatine A;3-Pyridinecarboxylic acid, 4-[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-1,2-naphthalenediyl ester, [1R-[1α,2β,3β,4β(E),4aβ,8aα]]- (9CI);(1R,2S,3R,4R,4aS,8aR)-3-Hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyldinicotinate;(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 |
| CAS No. | 176520-13-1 |
| PubChem CID | 45110781 |
Synthetic Route by SureRoute
2. ACECBJ678 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)-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
(1R,2R,3S,4R,4AR,8aR)-2-hydroxy-3,4,8,8a-tetramethyl-4-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl nicotinate