Account 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
- Catalog No. :
- ACEBRA464
- CAS No. :
- 77228-71-8
- Molecular Formula :
- C31H46O18S2
- Molecular Weight :
- 770.83
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | - |
| Molecular Formula | C31H46O18S2 |
| Molecular Weight | 770.83 |
| SMILES | C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C5OC(=O)CC(C)C)CC(C(=O)O)(C(=O)O)C4CCC3(C2)C1O |
| InChI Key | AQFATIOBERWBDY-UHFFFAOYSA-N |
| Synonym | DTXSID30865669 | Carboxyatractylate | Carboxyatractyloside | Carboxyatractyloside (potassium salt) | 15-hydroxy-2-{[2-o-(3-methylbutanoyl)-3,4-di-o-sulfohexopyranosyl]oxy}kaur-16-ene-18,19-dioic acid | Carboxyatractyloside Potassium Salt | Kaur-16-ene-18, |
| CAS No. | 77228-71-8 |
| PubChem CID | 108174 |
Synthetic Route by SureRoute
2. ACEBRA464 Molecular Building Block Synthetic Route
(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
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)