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| CAS No.: | 129025-96-3 |
| Molecular Formula | C₂₃H₂₄O₁₂ |
| Molecular Weight | 492.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Anthraquinones |
IUPAC Name: 1,7-dihydroxy-2,8-dimethoxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
InChI: InChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1
InChIKey: LQYQYAJWKXDTHR-PHVGODQESA-N
Canonical SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)OC)O
Isomeric SMILES: CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
Synonyms: 129025-96-3; Aurantio-obtusin beta-D-glucoside; AURANTIO-OBTUSIN-6-O-BETA-D-GLUCOSIDE; Gluco-Aurantioobtusin; CHEBI:28268; Glucoaurantio-obtusin; Aurantio-obtusin ; A-D-glucoside; …
Botanical Source: Cassiae semen
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