Account Thevebioside
- Catalog No. :
- ACHYDF366
- CAS No. :
- 114586-47-9
- Molecular Formula :
- C36H56O13
- Molecular Weight :
- 696.83
IUPAC Name:4-((3S,5R,8R,9S,10S,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-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
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Product Information
| Product Name | Thevebioside |
|---|---|
| IUPAC Name | 4-((3S,5R,8R,9S,10S,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-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one |
| MDL No. | MFCD01740062 |
| Molecular Formula | C36H56O13 |
| Molecular Weight | 696.83 |
| SMILES | O=C1OCC([C@H]2CC[C@]3(O)[C@]4([H])CC[C@]5([H])C[C@@H](O[C@H]6[C@H]([C@@H]([C@H]([C@H](C)O6)O[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)OC)O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)=C1 |
| InChI Key | LBCSKUSUYQVKDB-BHJCMSARSA-N |
| Synonym | Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)-;Digitoxigenin glucosylthevetoside |
| CAS No. | 114586-47-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACHYDF366 Molecular Building Block Synthetic Route
17alpha-Thevebioside
4-((3S,5S,8R,9S,10S,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)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
4-((3S,5R,8R,9S,10S,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)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one