Compound Q&A
How is (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate (CAS: 218916-52-0) typically synthesized?
Answer
![(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate](https://static.chemtradehub.com/structs/218/218916-52-0-d13e.webp "(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate")
The compound is typically synthesized via a multistep process involving the condensation of a suitable keto compound with an appropriate alcohol, followed by acetylation, ring closure, and benoylation. The synthesis involves the use of strong acids and bases, and the reaction is carried out under mild or moderate conditions. The yield is around 70-80%, and the selectivity is high for the desired product.
About
CAS No
218916-52-0
English Name
(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
Molecular Formula
C31H38O7
Molecular Weight
522.64 g/mol
SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)c3ccccc3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\C)OC(=O)C)OC(=O)C
InChIKey
JPYYWXPAHJBKJX-VWSFRBHVSA-N
Last Updated: 2025-09-08 00:42
![(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate — Shanghai Analytical Rocky Experimental Technology Co., Ltd.](https://static.chemtradehub.com/suppliers/67cdcfdf57537e5c8069ad2d/67cdcfdf57537e5c8069ad2d-logo.webp){kind=logo}