Account (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
- Catalog No. :
- ACUQEW794
- CAS No. :
- 33286-30-5
- Molecular Formula :
- C31H46K2O18S2
- Molecular Weight :
- 849.02
IUPAC Name:(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(1H)-dicarboxylic acid, dipotassium salt
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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(1H)-dicarboxylic acid, dipotassium salt |
| Molecular Formula | C31H46K2O18S2 |
| Molecular Weight | 849.02 |
| SMILES | C[C@]12[C@@]3([H])[C@@]4(CC[C@]1([H])C(C(O)=O)(C[C@H](C2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)OS(=O)(O)=O)OS(=O)(O)=O)OC(CC(C)C)=O)C(O)=O)C[C@H](C([C@@H]4O)=C)CC3.[K].[K] |
| InChI Key | RWEZIQDTEROURZ-WWJHHVHBSA-N |
| Synonym | dipotassium dihydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4-di-O-sulphonato-beta-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate;4-CARBOXY-ATRACTYLOSIDE;15α-Hydroxy-2β-[[2-O-(3-methyl-1-oxobutyl)-3-O,4-O-di-(potassiooxysulfonyl)-β-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioic acid;Dipotassium carboxyatractyloside;Potassium carboxyatractyloside;Carboxyatractyloside dipotassium;4-carboxyatractylosidedipotassiumsal;(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 |
| CAS No. | 33286-30-5 |
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. ACUQEW794 Molecular Building Block Synthetic Route
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
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
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)