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| CAS No.: | 20186-29-2 |
| Molecular Formula | C₁₆H₁₈O₉ |
| Molecular Weight | 354.31g/mol |
| Purity | HPLC>98% |
| Chemical Family | Coumarins |
IUPAC Name: 7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI: InChI=1S/C16H18O9/c1-22-9-5-8-7(2-3-12(18)23-8)4-10(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: WBAVLTNIRYDCPM-YMILTQATSA-N
Canonical SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: COC1=C(C=C2C=CC(=O)OC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: Magnolioside; 20186-29-2; Methylesculin; Esculin methyl ether; 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-methoxy-; IQ1QJO54R6; 7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; ISOSCOPOLIN; …
Botanical Source:
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