Account (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
- Catalog No. :
- ACCGTJ124
- CAS No. :
- 20300-44-1
- Molecular Formula :
- C30H42O10
- Molecular Weight :
- 562.66
IUPAC Name:(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
![(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 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-(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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C30H42O10 |
| Molecular Weight | 562.66 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=COC(=O)C=C6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O |
| InChI Key | HNNFRQFXBWSJBX-MTUTWWBMSA-N |
| Synonym | 3β-(α-L-Rhamnopyranosyloxy)-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide;3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide;Desglucohellebrin;Bufa-20,22-dienolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-;Deglucohellebrin |
| CAS No. | 20300-44-1 |
Synthetic Route by SureRoute
2. ACCGTJ124 Molecular Building Block Synthetic Route
14β,16β-Dihydroxy-3β-(β-D-glucopyranosyloxy)-5α-bufa-20,22-dienolide
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
(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