Account (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
- Catalog No. :
- ACOCCZ096
- CAS No. :
- 508-75-8
- Molecular Formula :
- C29H42O10
- Molecular Weight :
- 550.65
IUPAC Name:(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
![(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)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)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde |
|---|---|
| IUPAC Name | (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| Molecular Formula | C29H42O10 |
| Molecular Weight | 550.65 |
| SMILES | [H][C@@]12CC[C@@]3(C[C@@H](O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C)CC[C@@]3([C@]1(CC[C@@]5([C@@H](C6=CC(OC6)=O)CC[C@]25O)C)[H])C=O)O |
| InChI Key | HULMNSIAKWANQO-JQKSAQOKSA-N |
| Synonym | 5beta,14beta-Dihydroxy-19-oxo-3beta[(alpha-L-rhamnopyranosyl)oxy]card-20,22-enolide | HY-N1312 | HY-N2453 | Q 5 | Q2996215 | Convallatoxoside | MS-30077 | NSC 407808 | 3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enoli |
| CAS No. | 508-75-8 |
| PubChem CID | 441852 |
Synthetic Route by SureRoute
2. ACOCCZ096 Molecular Building Block Synthetic Route
K-strophanthoside
(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-(((2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
(2R,3S,4R,5S,6S)-2-(((3S,5R,8R,9S,10R,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl acetate