Chem
J-GLOBAL ID:200907074816745245
Nikkaji number:J2.718.868K
Obtusifolin 2-glucoside
オブツシホリン2-グルコシド
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H22 O10
Molecular formula furigana:
C22-H22-O10
Molecular weight:
446.408
InChI:
InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3/t12-,16-,18+,19-,22+/m1/s1
InChI key:
JMDQOFZFOJHOMU-UJPYTVAASA-N
SMILES:
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)cc2C(=O)c3cccc(O)c3C(=O)c12
Systematic name (4):
1-メトキシ-2-(β-D-グルコピラノシルオキシ)-3-メチル-8-ヒドロキシ-9,10-アントラキノン
2-(β-D-グルコピラノシルオキシ)-8-ヒドロキシ-1-メトキシ-3-メチルアントラキノン
8-ヒドロキシ-1-メトキシ-3-メチル-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-9,10-ジヒドロアントラセン-9,10-ジオン
8-hydroxy-1-methoxy-3-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
Other name (4):
1-Methoxy-2-(β-D-glucopyranosyloxy)-3-methyl-8-hydroxy-9,10-anthraquinone
2-(β-D-Glucopyranosyloxy)-8-hydroxy-1-methoxy-3-methylanthraquinone
Obtusifolin 2-glucoside
オブツシホリン2-グルコシド
CAS registry number:
120163-18-0
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