Account (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
- Catalog No. :
- ACJWHN758
- CAS No. :
- 184673-79-8
- Molecular Formula :
- C26H34O7
- Molecular Weight :
- 458.55
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.55 |
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2[C@H](O)C(=O)[C@]2(C)[C@@H](C4=COC(=O)C=C4)CC[C@]32O)C1 |
| InChI Key | QXXMSIJXDTVQBY-VDFARBNLSA-N |
| Synonym | Acetylarenobufagin;Bufa-20,22-dienolide, 3-(acetyloxy)-11,14-dihydroxy-12-oxo-, (3β,5β,11α)- |
| CAS No. | 184673-79-8 |
Synthetic Route by SureRoute
2. ACJWHN758 Molecular Building Block Synthetic Route
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
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
Acrihellin