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| CAS No.: | 531-44-2 |
| Molecular Formula | C₁₆H₁₈O₉ |
| Molecular Weight | 354.31g/mol |
| Purity | HPLC>98% |
| Chemical Family | Coumarins |
IUPAC Name: 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI: InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
InChIKey: SGTCGCCQZOUMJJ-YMILTQATSA-N
Canonical SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: Scopolin; 531-44-2; Scopoloside; Murrayin; Scopoletin 7-glucoside; Scopoletin 7-O-Glucoside; UNII-1Y49270PY8; CHEBI:16065; …
Botanical Source: Anisodus tanguticus (Maxim.)
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