Account methyl (1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate
- Catalog No. :
- ACKHRO977
- CAS No. :
- 192704-82-8
- Molecular Formula :
- C24H30O6
- Molecular Weight :
- 414.50
IUPAC Name:methyl (1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate
![methyl (1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate |
|---|---|
| IUPAC Name | methyl (1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate |
| Molecular Formula | C24H30O6 |
| Molecular Weight | 414.50 |
| SMILES | COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]3O[C@@H]3[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 |
| InChI Key | QBIRIYASLUPKQB-KPHSNMAVSA-N |
| Synonym | Eplerenone EP Impurity B;Eplerenone Impurity B;Eplerenone Impurity 4(Eplerenone EP Impurity B);(7α,11α,12α,17α)-11,12-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid Lactone, Methyl Ester;Pregn-4-ene-7,21-dicarboxylic acid, 11,12-epoxy-17-hydroxy-3-oxo-, 21,17-lactone, 7-methyl ester, (7α,11α,12α,17α)-;(1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-Methyl 9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate (Eplerenone Impurity);11alpha,12alpha-Epoxy-7alpha-(methoxycarbonyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone;(7Alpha,11Alpha,12Alpha,17Alpha)-11,12-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid Lactone, Methyl Ester |
| CAS No. | 192704-82-8 |
Synthetic Route by SureRoute
2. ACKHRO977 Molecular Building Block Synthetic Route
methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
isopropyl (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
methyl (7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate