Compound Q&A

What is [(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-(Benzoyloxy)-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenyl]methyl benzoate (CAS: 873001-54-8)?

Answer

[(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-(Benzoyloxy)-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenyl]methyl benzoate
[(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-(Benzoyloxy)-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenyl]methyl benzoate is a complex organic compound with a specific stereochemistry. It features a benzoyloxy moiety and a 20-membered carbon ring system. This compound is primarily used in pharmaceuticals for its specific biological activity and in research for its structural complexity and potential applications in synthetic chemistry.

About

English Name [(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-(Benzoyloxy)-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenyl]methyl benzoate
Molecular Formula C44H58O5
Molecular Weight 666.94 g/mol
SMILES O=C(OC[C@@]1(C)C[C@@]2([H])[C@]3(C)CCC4=C([C@@H](O)C[C@@]5([H])C(C)(C)[C@H](OC(C6=CC=CC=C6)=O)CC[C@@]54C)[C@@]3(C)CC[C@@]2(C)CC1)C7=CC=CC=C7
InChIKey ZRKGVMOZKMBTHF-DUVCPVCPSA-N
Last Updated: 2025-09-18 13:36

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