Chem
J-GLOBAL ID:200907026434118530
Nikkaji number:J15.605A
Swertiajaponin
スウエルチアジャポニン
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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 O11
Molecular formula furigana:
C22-H22-O11
Molecular weight:
462.407
InChI:
InChI=1S/C22H22O11/c1-31-13-6-14-16(11(26)5-12(32-14)8-2-3-9(24)10(25)4-8)19(28)17(13)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-25,27-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1
InChI key:
DLVLXOYLQKCAME-DGHBBABESA-N
SMILES:
COc1cc2oc(cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)c(O)c1
Systematic name (6):
2-(3,4-ジヒドロキシフェニル)-6-(β-D-グルコピラノシル)-5-ヒドロキシ-7-メトキシ-4H-1-ベンゾピラン-4-オン
3′,4′,5-トリヒドロキシ-7-メトキシ-6-(β-D-グルコピラノシル)フラボン
3′,4′,5-トリヒドロキシ-7-メトキシ-6-β-D-グルコピラノシルフラボン
2-(3,4-ジヒドロキシフェニル)-5-ヒドロキシ-6-(β-D-グルコピラノシル)-7-メトキシ-4H-1-ベンゾピラン-4-オン
2-(3,4-ジヒドロキシフェニル)-5-ヒドロキシ-7-メトキシ-6-[(2S,3R,4R,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]-4H-クロメン-4-オン
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
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Other name (7):
スウエルチアジャポニン
Swertiajaponin
2-(3,4-Dihydroxyphenyl)-6-(β-D-glucopyranosyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
3′,4′,5-Trihydroxy-7-methoxy-6-(β-D-glucopyranosyl)flavone
3′,4′,5-Trihydroxy-7-methoxy-6-β-D-glucopyranosylflavone
2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-(β-D-glucopyranosyl)-7-methoxy-4H-1-benzopyran-4-one
スウェルチアジャポニン
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CAS registry number:
6980-25-2
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