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| CAS No.: | 87592-77-6 |
| Molecular Formula | C₂₀H₂₄O₁₀ |
| Molecular Weight | 424.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Coumarins |
IUPAC Name: (2S,3R)-3-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
InChI: InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3/t12-,14-,15-,16+,17-,18+,19+/m1/s1
InChIKey: KLPNFWKZLQAVTH-LDCXIIFCSA-N
Canonical SMILES: CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: CC(C)([C@@H]1[C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Synonyms: Smyrindioloside; 87592-77-6; (2S,3R)-3-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one; CHEBI:176057; DTXSID101109563; HY-N1234; AKOS032948594; DA-77898; …
Botanical Source:
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