Account potassium (2R,3R,4R,5R,6R)-6-(((2R,4R,4aR,6aR,7S,9R,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl)oxy)-2-(hydroxymethyl)-5-((3-methylbutanoyl)oxy)tetrahydro-2H-pyran-3,4-diyl bis(sulfate)
- Catalog No. :
- ACBJGE008
- CAS No. :
- 17754-44-8
- Molecular Formula :
- C30H44K2O16S2
- Molecular Weight :
- 803.00
IUPAC Name:potassium (2R,3R,4R,5R,6R)-6-(((2R,4R,4aR,6aR,7S,9R,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl)oxy)-2-(hydroxymethyl)-5-((3-methylbutanoyl)oxy)tetrahydro-2H-pyran-3,4-diyl bis(sulfate)
![potassium (2R,3R,4R,5R,6R)-6-(((2R,4R,4aR,6aR,7S,9R,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl)oxy)-2-(hydroxymethyl)-5-((3-methylbutanoyl)oxy)tetrahydro-2H-pyran-3,4-diyl bis(sulfate) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | potassium (2R,3R,4R,5R,6R)-6-(((2R,4R,4aR,6aR,7S,9R,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl)oxy)-2-(hydroxymethyl)-5-((3-methylbutanoyl)oxy)tetrahydro-2H-pyran-3,4-diyl bis(sulfate) |
|---|---|
| IUPAC Name | potassium (2R,3R,4R,5R,6R)-6-(((2R,4R,4aR,6aR,7S,9R,11aS,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl)oxy)-2-(hydroxymethyl)-5-((3-methylbutanoyl)oxy)tetrahydro-2H-pyran-3,4-diyl bis(sulfate) |
| MDL No. | - |
| Molecular Formula | C30H44K2O16S2 |
| Molecular Weight | 803.00 |
| SMILES | C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O.[K+].[K+] |
| InChI Key | IUCNQFHEWLYECJ-FNAJZLPOSA-L |
| Synonym | ATRACTYLOSIDE SODIUM SALT(RG);dipotassium hydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4alpha-di-O-sulphonato-beta-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oate;(4α,15S)-15-Hydroxy-2β-[[2-O-(3-methyl-1-oxobutyl)-3-O,4-O-bis(potassiosulfo)-β-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid |
| CAS No. | 17754-44-8 |
Synthetic Route by SureRoute
2. ACBJGE008 Molecular Building Block Synthetic Route
Potassium (2R,4aR,6aR,7S,9R,11aS,11bR)-7-hydroxy-2-(((2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-((3-methylbutanoyl)oxy)-5-(sulfonatooxy)-4-(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)-11b-methyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carbox
(2S,4aS,6aR,7S,9R,11aS,11bS)-7-Hydroxy-2-(((2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-((3-methylbutanoyl)oxy)-4,5-bis(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)-11b-methyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4(4aH)-dicarboxylic acid dipotassium salt
7-hydroxy-2-((6-(hydroxymethyl)-3-((3-methylbutanoyl)oxy)-4,5-bis(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)-11b-methyl-8-methylenedodecahydro-6a,9-methanocyclohepta[a]naphthalene-4,4(1H)-dicarboxylic acid