Account NotoginsenosideS
- Catalog No. :
- ACLQVE790
- CAS No. :
- 575446-95-6
- Molecular Formula :
- C63H106O30
- Molecular Weight :
- 1343.51
IUPAC Name:(2R,3S,4S,5R,6S)-2-((((2R,3R,4R,5S)-3,4-dihydroxy-5-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(((S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-(((2R,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-12-hydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | NotoginsenosideS |
|---|---|
| IUPAC Name | (2R,3S,4S,5R,6S)-2-((((2R,3R,4R,5S)-3,4-dihydroxy-5-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(((S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-(((2R,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-12-hydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol |
| MDL No. | MFCD30724960 |
| Molecular Formula | C63H106O30 |
| Molecular Weight | 1343.51 |
| SMILES | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
| InChI Key | AZIGQTILUNTIQH-RJLRDNOXSA-N |
| Synonym | Notoginsenoside S;β-D-Glucopyranoside, (3β,12β)-12-hydroxy-20-[(O-β-D-xylopyranosyl-(1→5)-O-α-L-arabinofuranosyl-(1→6)-β-D-glucopyranosyl)oxy]dammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-;Notoginsenoside S USP/EP/BP |
| CAS No. | 575446-95-6 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACLQVE790 Molecular Building Block Synthetic Route
(2R,3S,4S,5R,6S)-2-((((2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(((S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-12-hydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
(2R,3S,4S,5R,6S)-2-((((2R,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(((R)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-(((2R,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-12-hydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((S)-6-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hept-5-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol