Account 4-((3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-3-(((2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
- Catalog No. :
- ACDFHE758
- CAS No. :
- 12738-19-1
- Molecular Formula :
- C30H46O7
- Molecular Weight :
- 518.69
IUPAC Name:4-((3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-3-(((2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-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,17R)-14-Hydroxy-3-(((2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-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,17R)-14-Hydroxy-3-(((2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-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,17R)-14-hydroxy-3-(((2S,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one |
| Molecular Formula | C30H46O7 |
| Molecular Weight | 518.69 |
| SMILES | CO[C@@H]1C[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)CCC43O)C2)O[C@H](C)[C@@H]1O |
| InChI Key | YBZZSZQZDODUAA-AWVOCBRJSA-N |
| Synonym | 3β-[(3-O-Methyl-2,6-dideoxy-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-5β,14β-carda-20(22)-enolide;3β-[(3-O-Methyl-2,6-dideoxy-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide;Odoroside A;Odorosid a;Odorosid A [german];Digitoxigenin diginoside;Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β)- |
| CAS No. | 12738-19-1 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301+H311+H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACDFHE758 Molecular Building Block Synthetic Route
4-((3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-3-(((2R,5R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
4-((3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-(((2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-(((2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one