Account 4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-3-(((2R,4S,5R,6R)-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
- Catalog No. :
- ACQYGF453
- CAS No. :
- 13137-64-9
- Molecular Formula :
- C36H56O13
- Molecular Weight :
- 696.83
IUPAC Name:4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-(((2R,4S,5R,6R)-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
![4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-3-(((2R,4S,5R,6R)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-3-(((2R,4S,5R,6R)-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 |
|---|---|
| IUPAC Name | 4-((3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-(((2R,4S,5R,6R)-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. | MFCD01745141 |
| Molecular Formula | C36H56O13 |
| Molecular Weight | 696.83 |
| SMILES | O=C1OCC([C@H]2CC[C@]3(O)[C@]4([H])CC[C@]5(O)C[C@@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](C)O6)CC[C@]5(C)[C@@]4([H])CC[C@]23C)=C1 |
| InChI Key | KWBPKUMWVXUSCA-AXQDKOMKSA-N |
| Synonym | Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3beta,5beta)- | s9181 | AC-34379 | (3?,5?)-3-[(2,6-Dideoxy-4-O-?-D-glucopyranosyl-3-O-methyl-?-D-ribo-hexopyranosyl)oxy]-5,14-dihydr |
| CAS No. | 13137-64-9 |
| PubChem CID | 14463159 |
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. ACQYGF453 Molecular Building Block Synthetic Route
Periplogenin 3-[o-beta-glucopyranosyl-(14)-beta-sarmentopyranoside]
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