Account (3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid
- Catalog No. :
- ACAQKX562
- CAS No. :
- 82508-35-8
- Molecular Formula :
- C22H26O8
- Molecular Weight :
- 418.44
IUPAC Name:(3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid
![(3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid |
|---|---|
| IUPAC Name | (3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.44 |
| SMILES | CC(=O)O[C@]12CCC(C(=O)O)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O |
| InChI Key | ZPSQWDVEMDWXPJ-HPHAYBORSA-N |
| Synonym | Demethylpseudolaric acid B;Pseudolaric Acid C2;inhibit,Pseudolaric Acid C-2,Pseudolaric Acid C 2,Inhibitor,Pseudolaric Acid C2;1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 4a-(acetyloxy)-3-[(1E,3E)-4-carboxy-1,3-pentadien-1-yl]-3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, (3R,4S,4aS,9aR)-;Pseudolaric Acid C2, 10 mM in DMSO;(3R,4S,4aS,9aR)-4a-Acetoxy-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid |
| CAS No. | 82508-35-8 |
| PubChem CID | 6475945 |
Synthetic Route by SureRoute
2. ACAQKX562 Molecular Building Block Synthetic Route
(2E,4E)-5-((3R,4S,4aS,9aR)-4a-Acetoxy-7-(methoxycarbonyl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-3-yl)-2-methylpenta-2,4-dienoic acid
methyl (3R,4S,4aS,9aR)-4a-acetoxy-3-((1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dien-1-yl)-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylate
(3R,4R,4aS,9aR)-3-((1E,3E)-4-carboxypenta-1,3-dien-1-yl)-4a-hydroxy-3-methyl-1-oxo-3,4,4a,5,6,9-hexahydro-1H-4,9a-ethanocyclohepta[c]pyran-7-carboxylic acid