Account Calcium (8aR,9S,9'R)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,8,8a,9,9',10,10a,10'-decahydro-[9,9'-bianthracene]-2,2'-dicarboxylate(x:1)
- Catalog No. :
- ACPFTI263
- CAS No. :
- 52730-37-7
- Molecular Formula :
- C42H42CaO20
- Molecular Weight :
- 906.86
IUPAC Name:calcium (8aR,9S,9'R)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,8,8a,9,9',10,10a,10'-decahydro-[9,9'-bianthracene]-2,2'-dicarboxylate
![Calcium (8aR,9S,9'R)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,8,8a,9,9',10,10a,10'-decahydro-[9,9'-bianthracene]-2,2'-dicarboxylate(x:1) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Calcium (8aR,9S,9'R)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,8,8a,9,9',10,10a,10'-decahydro-[9,9'-bianthracene]-2,2'-dicarboxylate(x:1) |
|---|---|
| IUPAC Name | calcium (8aR,9S,9'R)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,8,8a,9,9',10,10a,10'-decahydro-[9,9'-bianthracene]-2,2'-dicarboxylate |
| Molecular Formula | C42H42CaO20 |
| Molecular Weight | 906.86 |
| SMILES | O=C([O-])C1=CC(O)=C2C(=O)C3=C(C=CC=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([C@H]3C4=CC(C(=O)[O-])=CC(O)=C4C(=O)C4C(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@@H]43)C2=C1.[Ca+2] |
| InChI Key | ALUNXZCLGHZUMP-XHVQCFHSSA-L |
| Synonym | SENNOSIDEB,CALCIUMSALT;B-CALCIUM SENNOSIDES;(R*,R*)-5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylic acid calcium salt;SennosideBCalciumSal;calcium (9S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylate |
| CAS No. | 52730-37-7 |
Synthetic Route by SureRoute
2. ACPFTI263 Molecular Building Block Synthetic Route
rel-(9R,9'S)-4,4'-Dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2-carboxylic acid
(9R,9'R)-4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid
(9R,9'S)-4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid