Account Rhein-8-O-β-D-glucopyranoside
- Catalog No. :
- ACSFXM180
- CAS No. :
- 113443-70-2
- Molecular Formula :
- C42H34CaO22
- Molecular Weight :
- 930.79
IUPAC Name:calcium 4,5-dihydroxy-9,10-dioxo-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylate
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Product Information
| Product Name | Rhein-8-O-β-D-glucopyranoside |
|---|---|
| IUPAC Name | calcium 4,5-dihydroxy-9,10-dioxo-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylate |
| Molecular Formula | C42H34CaO22 |
| Molecular Weight | 930.79 |
| SMILES | O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C([C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=C3O)=O)[O-].O=C(C(C=C5C6=O)=CC(O)=C5C(C7=C6C([C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=CC=C7O)=O)[O-].[Ca+2] |
| InChI Key | RMOLPHVZUFPZRZ-LUULZKFYSA-L |
| Synonym | calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate;Rhein-8-glucoside calcium salt;Rhein-8-O-β-D-glucopyranoside;Rhein-8-O-beta-D-glucopyranoside;Rhein-8-O-β-D-glucopyranoside(Rhein-8-glucoside calcium );2-Anthracenecarboxylicacid, 8-b-D-glucopyranosyl-9,10-dihydro-4,5-dihydroxy-9,10-dioxo-,calciuM salt (1:1);Glucorhein;(-)-Syringaresnol-4-O-β-D-apiofuranosyl-(1→2)-β-D-glucopyranoside |
| CAS No. | 113443-70-2 |
| PubChem CID | 54676854 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACSFXM180 Molecular Building Block Synthetic Route
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylic acid
lithium 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-((2S,3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9,10-dihydroanthracene-2-carboxylate
Carmine