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| CAS No.: | 483-91-0 |
| Molecular Formula | C₁₇H₂₀O₁₀ |
| Molecular Weight | 384.3g/mol |
| Purity | HPLC>98% |
| Chemical Family | Coumarins |
IUPAC Name: 6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI: InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3/t9-,11-,12+,13-,17+/m1/s1
InChIKey: IKUQEFGEUOOPGY-QSDFBURQSA-N
Canonical SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: Calycanthoside; 483-91-0; Isofraxidin 7-O-beta-D-Glucoside; ISOFRAXIDIN-7-GLUCOSIDE; X9UV2YMM9C; Isofraxidin beta-D-glucoside; 6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 6,8-Dimethoxy-7-(beta-D-glucopyranosyloxy)coumarin; …
Botanical Source:
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