Account 17alpha-Thevebioside
- Catalog No. :
- ACYPNY207
- CAS No. :
- 114613-59-1
- Molecular Formula :
- C36H56O13
- Molecular Weight :
- 696.83
IUPAC Name:4-((3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-(((2R,3S,4S,5S,6S)-3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-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 | 17alpha-Thevebioside |
|---|---|
| IUPAC Name | 4-((3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-(((2R,3S,4S,5S,6S)-3-hydroxy-6-(hydroxymethyl)-4-methoxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one |
| Molecular Formula | C36H56O13 |
| Molecular Weight | 696.83 |
| SMILES | CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@@H](CO)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | YOPRRJNXVMSVLG-IGRYEOOQSA-N |
| Synonym | 17alpha-Thevebioside;17α-Thevebioside;Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β,17α)- (9CI);Card-20(22)-enolide3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-(3β5β17α)-/17alpha-Thevebioside |
| CAS No. | 114613-59-1 |
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. ACYPNY207 Molecular Building Block Synthetic Route
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
Thevebioside
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