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| CAS No.: | 80358-06-1 |
| Molecular Formula | C₂₀H₂₄O₉ |
| Molecular Weight | 408.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Anthraquinones |
IUPAC Name: 1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
InChI: InChI=1S/C20H24O9/c1-8-4-10-5-11(6-12(27-3)15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18+,19-,20-/m1/s1
InChIKey: FEZDDTIDMGTSLT-CZNQJBLBSA-N
Canonical SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: Tinnevellin glucoside; 80358-06-1; 1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone; 1-(1-Hydroxy-8-methoxy-3-methyl-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)naphthalen-2-yl)ethanone; Ethanone, 1-(6-(beta-D-glucopyranosyloxy)-1-hydroxy-8-methoxy-3-methyl-2-naphthalenyl)-; 1-(1-HYDROXY-8-METHOXY-3-METHYL-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}NAPHTHALEN-2-YL)ETHANONE; DTXSID30230272; HY-N4091; …
Botanical Source: Ixeris sonchifolia （Bunge） Hance
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