Account 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
- Catalog No. :
- ACUNQT781
- CAS No. :
- 37271-16-2
- Molecular Formula :
- C42H40O19
- Molecular Weight :
- 848.76
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD10566624 |
| Molecular Formula | C42H40O19 |
| Molecular Weight | 848.76 |
| SMILES | O=C(O)C1=CC2=C(C(=O)C3=C(C=CC=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2C2C3=C(C(=O)C4=C2C=CC=C4O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(CO)=C3)C(O)=C1 |
| InChI Key | ZFWOUNNKSHIAFK-JZOSXXJUSA-N |
| Synonym | Sennoside C;Sennosid C;[9,9'-Bianthracene]-2-carboxylic acid, 5,5'-bis(β-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-2'-(hydroxymethyl)-10,10'-dioxo-, (9R,9'R)-rel-;Sennoside C-RM;[9,9′-Bianthracene]-2-carboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-2′-(hydroxymethyl)-10,10′-dioxo-, (9R,9′R)-rel-;Sennoside C, 10 mM in DMSO;rel-(9R,9′R)-5,5′-Bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-2′-(hydroxymethyl)-10,10′-dioxo[9,9′-bianthracene]-2-carboxylic acid |
| CAS No. | 37271-16-2 |
| PubChem CID | 46173829 |
Synthetic Route by SureRoute
2. ACUNQT781 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