Account (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
- Catalog No. :
- ACQODZ592
- CAS No. :
- 465-90-7
- Molecular Formula :
- C24H32O6
- Molecular Weight :
- 416.51
IUPAC Name:(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
![(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde |
|---|---|
| IUPAC Name | (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| MDL No. | - |
| Molecular Formula | C24H32O6 |
| Molecular Weight | 416.51 |
| SMILES | C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1 |
| InChI Key | TVKPTWJPKVSGJB-XHCIOXAKSA-N |
| Synonym | Bufotalidin | BRN 0056259 | (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde | NSC89594 | NSC-89594 | 19-Oxo-3-beta,5,14-trihydroxy-5-beta- |
| CAS No. | 465-90-7 |
| PubChem CID | 259577 |
Synthetic Route by SureRoute
2. ACQODZ592 Molecular Building Block Synthetic Route
5-((5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
5-((3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
5-((3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one