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| CAS No.: | 641-12-3 |
| Molecular Formula | C₃₀H₁₈O₁₀ |
| Molecular Weight | 538.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Anthraquinones |
IUPAC Name: 9-(2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
InChI: InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)
InChIKey: JPMRHWLJLNKRTJ-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
Isomeric SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
Synonyms: Sennidine A; 641-12-3; 9-(2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid; SennidinB; NSC658576; Sennidin-B; 4,4′,5,5′-tetrahydroxy-10,10′-dioxo-9,9′,10,10′-tetrahydro-9,9′-bianthracene-2,2′-dicarboxylic acid; CHEMBL227796; …
Botanical Source: Sennae Folium
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