Account 5-((3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
- Catalog No. :
- ACCSIW398
- CAS No. :
- 464-74-4
- Molecular Formula :
- C24H32O6
- Molecular Weight :
- 416.51
IUPAC Name:5-((3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
![5-((3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5-((3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one |
|---|---|
| IUPAC Name | 5-((3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one |
| Molecular Formula | C24H32O6 |
| Molecular Weight | 416.51 |
| SMILES | C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](C3=COC(=O)C=C3)CC[C@]12O |
| InChI Key | JGDCRWYOMWSTFC-AZGSIFHYSA-N |
| Synonym | arenobufagin;3β,11α,14-Trihydroxy-12-oxo-5β-bufa-20,22-dienolide;(3beta,5beta,11alpha)-3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide;Arenobufogenin;Arenobufagin, BR;(3beta,5beta,8xi,9xi,11alpha)-3,11,14-trihydroxy-12-oxobufa-20,22-dienolide;Bufa-20,22-dienolide,3,11,14-trihydroxy-12-oxo-, (3b,5b,11a)-;Bufa-20,22-dienolide, 3,11,14-trihydroxy-12-oxo-, (3β,5β,11α)- |
| CAS No. | 464-74-4 |
Synthetic Route by SureRoute
2. ACCSIW398 Molecular Building Block Synthetic Route
(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
8-(((3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-8-oxooctanoic acid
(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