Account (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
- Catalog No. :
- ACOAKS980
- CAS No. :
- 82508-31-4
- Molecular Formula :
- C23H28O8
- Molecular Weight :
- 432.47
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD01746346 |
| Molecular Formula | C23H28O8 |
| Molecular Weight | 432.47 |
| SMILES | O=C(O)/C(C)=C/C=C/[C@](O1)(C)[C@@]2([H])[C@](CCC(C(OC)=O)=CC3)(OC(C)=O)[C@]3(CC2)C1=O |
| InChI Key | VDGOFNMYZYBUDT-YDRCMHEVSA-N |
| Synonym | Pseudolaric acid B | 82508-31-4 | Pseudolaric-Acid-B | Pseudolaric acid b(pba) | CHEBI:189471 | BCP07962 | PD087135 | Q-100841 | (2E,4E)-5-[(1S,7S,8S,9R)-7-Acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic a |
| CAS No. | 82508-31-4 |
| PubChem CID | 71307573 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H361
- Precautionary Statement(s)
- P281-P301+P310
Synthetic Route by SureRoute
2. ACOAKS980 Molecular Building Block Synthetic Route
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,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
Pseudolaric Acid C