Account (3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
- Catalog No. :
- ACTMLX665
- CAS No. :
- 20230-41-5
- Molecular Formula :
- C49H78O17
- Molecular Weight :
- 939.15
IUPAC Name:(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
![(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate |
|---|---|
| IUPAC Name | (3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate |
| MDL No. | MFCD23103705 |
| Molecular Formula | C49H78O17 |
| Molecular Weight | 939.15 |
| SMILES | CO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@@H]5[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]5(C)[C@@H](C(C)=O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O |
| InChI Key | YBYQJMJCNJMYGM-MCMVXZTDSA-N |
| Synonym | Dregeoside Aa1;Pregn-5-en-20-one, 11-(acetyloxy)-3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-12-(3-methyl-1-oxobutoxy)-, (3β,11α,12β,14β)- (9CI) |
| CAS No. | 20230-41-5 |
Synthetic Route by SureRoute
2. ACTMLX665 Molecular Building Block Synthetic Route
(3S,8R,9S,10R,11S,12S,13S,14S,17S)-11-acetoxy-17-acetyl-14-hydroxy-3-(((2R,4S,5R,6R)-5-(((2S,4S,5R,6R)-5-(((2S,3R,4S,5R,6R)-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)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
11-acetoxy-3-((5-((5-((3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
Wallicoside