Account 5-((1R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one
- Catalog No. :
- ACUESO915
- CAS No. :
- 465-39-4
- Molecular Formula :
- C24H32O4
- Molecular Weight :
- 384.52
IUPAC Name:5-((1R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one
![5-((1R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5-((1R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one |
|---|---|
| IUPAC Name | 5-((1R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one |
| MDL No. | MFCD00210361 |
| Molecular Formula | C24H32O4 |
| Molecular Weight | 384.52 |
| SMILES | C[C@]([C@@H](C(C=C1)=COC1=O)C2)(CC[C@@]3([H])[C@@]4([H])CC[C@@]5([H])[C@@]3(CC[C@H](O)C5)C)[C@@]64[C@@H]2O6 |
| InChI Key | ATLJNLYIJOCWJE-CWMZOUAVSA-N |
| Synonym | Q63391924 | 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one | DTXCID8026808 | s3238 | CAS-465-39-4 | CHEBI:31319 | Respigon | Bufogenine [INN-French] | 3beta-hydroxy-5beta,15be |
| CAS No. | 465-39-4 |
| PubChem CID | 6917974 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACUESO915 Molecular Building Block Synthetic Route
(2aR,3aS,3bR,5aR,7S,9aR,9bS,11aR)-7-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)tetradecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxirene-9a(1H)-carbaldehyde
5-((3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one