Account 14β,16β-Dihydroxy-3β-(β-D-glucopyranosyloxy)-5α-bufa-20,22-dienolide
- Catalog No. :
- ACHILK866
- CAS No. :
- 1323952-04-0
- Molecular Formula :
- C30H44O10
- Molecular Weight :
- 564.67
IUPAC Name:5-((3S,5S,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
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Product Information
| Product Name | 14β,16β-Dihydroxy-3β-(β-D-glucopyranosyloxy)-5α-bufa-20,22-dienolide |
|---|---|
| IUPAC Name | 5-((3S,5S,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one |
| Molecular Formula | C30H44O10 |
| Molecular Weight | 564.67 |
| SMILES | O[C@@]12[C@@]([C@@H](C(C=C3)=COC3=O)[C@H](C1)O)(CC[C@@]4([H])[C@@]2([H])CC[C@]5([H])[C@@]4(CC[C@@H](C5)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)C |
| InChI Key | QIVAZRNVKKOUNT-WQXIAEFUSA-N |
| Synonym | 14β,16β-Dihydroxy-3β-(β-D-glucopyranosyloxy)-5α-bufa-20,22-dienolide;Bufa-20,22-dienolide, 3-(β-D-glucopyranosyloxy)-14,16-dihydroxy-, (3β,5α,16β)- |
| CAS No. | 1323952-04-0 |
Synthetic Route by SureRoute
2. ACHILK866 Molecular Building Block Synthetic Route
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-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
5-((3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
5-((1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,7-dihydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one