Account 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
- Catalog No. :
- ACCYOB642
- CAS No. :
- 27127-79-3
- Molecular Formula :
- C42H66O18
- Molecular Weight :
- 858.97
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-((((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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product 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-((((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 |
|---|---|
| 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-((((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 |
| MDL No. | MFCD00869445 |
| Molecular Formula | C42H66O18 |
| Molecular Weight | 858.97 |
| SMILES | O[C@@]12[C@]3([C@@]([H])([C@]4(C)[C@]([H])(CC3)C[C@H](CC4)O[C@]5([C@@H](O)[C@H](OC)[C@H]([C@@H](O5)C)O[C@@]6(O[C@H](CO[C@@H]7O[C@H](CO)[C@H]([C@@H]([C@H]7O)O)O)[C@H]([C@@H]([C@H]6O)O)O)[H])[H])CC[C@]1(C)[C@H](CC2)C(CO8)=CC8=O)[H] |
| InChI Key | GZVMBXDQUQRICT-RCGIHWJFSA-N |
| Synonym | 3β-[4-O-[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]-6-deoxy-3-O-methyl-α-L-glucopyranosyloxy]-14β-hydroxy-5β-card-20(22)-enolide;4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;(3beta,5beta)-3-[(O-beta-D-Glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β)-;Thevetin B DISCONTINUED |
| CAS No. | 27127-79-3 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACCYOB642 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
Thevebioside