Compound Q&A
How is (1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate (CAS: 1312716-27-0) typically synthesized?
Answer
![(1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate](https://static.chemtradehub.com/structs/131/1312716-27-0-d2f3.webp "(1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate")
The synthesis involves condensation of nicotinic acid with a specific furan derivative under anhydrous conditions, followed by benzoylation and ring expansion. The reaction is catalyzed by a palladium-based catalyst and proceeds with high selectivity and yield. Detailed procedures can be found in organic synthesis literature.
About
CAS No
1312716-27-0
English Name
(1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate
Molecular Formula
C33H35NO7
Molecular Weight
557.64 g/mol
SMILES
CC1=CCC[C@H]2[C@]1([C@H]([C@@H]([C@]([C@]2(C)/C=C/C3=CC(=O)OC3)(C)O)OC(=O)c4cccnc4)OC(=O)c5ccccc5)C
InChIKey
PFWQIGHLLAXZMX-IWSWVWQKSA-N
Last Updated: 2026-01-02 00:31
![(1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate — Shanghai Yuyeh Biotechnology Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce9f132b2de6e8e95a48fe/67ce9f132b2de6e8e95a48fe-logo.webp){kind=logo}
![(1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate — YunNaXiLiShengWuJiShu Inc](https://static.chemtradehub.com/suppliers/67cecac62b2de6e8e95a5839/67cecac62b2de6e8e95a5839-logo.webp){kind=logo}
![(1R,2S,3R,4R,4aS,8aR)-1-(Benzoyloxy)-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-octahydro-2-naphthalenyl nicotinate — ShenZhenAiTaHuaXue Co Ltd](https://static.chemtradehub.com/suppliers/67ced0fb2b2de6e8e95a67fa/67ced0fb2b2de6e8e95a67fa-logo.webp){kind=logo}