Chem
J-GLOBAL ID：201207050236226576   Nikkaji number：J3.029.152B

2,8-Dimethyl-4α-(β-D-glucopyranosyloxy)-6α-hydroxy-10-oxobicyclo[5.3.0]decane-1,8-diene-5β-[(αS)-α-hydroxy-α-(hydroxymethyl)acetic acid]γ-lactone

2,8-ジメチル-4α-(β-D-グルコピラノシルオキシ)-6α-ヒドロキシ-10-オキソビシクロ[5.3.0]デカン-1,8-ジエン-5β-[(αS)-α-ヒドロキシ-α-(ヒドロキシメチル)酢酸]γ-ラクトン
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： C21H28O11
Molecular formula furigana： C21-H28-O11
Molecular weight： 456.444
InChI： InChI=1S/C21H28O11/c1-7-3-9(24)12-8(2)4-10(14-18(13(7)12)32-20(28)21(14,29)6-23)30-19-17(27)16(26)15(25)11(5-22)31-19/h3,10-11,13-19,22-23,25-27,29H,4-6H2,1-2H3/t10-,11+,13?,14+,15+,16-,17+,18+,19+,21+/m0/s1
InChI key： OMZIKCULJLZDPH-SMJIDHRVSA-N
SMILES： CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](OC(=O)[C@@]3(O)CO)C12
Systematic name  (3)：
  • 2,8-ジメチル-4α-(β-D-グルコピラノシルオキシ)-6α-ヒドロキシ-10-オキソビシクロ[5.3.0]デカン-1,8-ジエン-5β-[(αS)-α-ヒドロキシ-α-(ヒドロキシメチル)酢酸]γ-ラクトン
  • (3S,3aR,4S,9bR)-3-ヒドロキシ-3-(ヒドロキシメチル)-6,9-ジメチル-4-{[(2R,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}-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-2,7-ジオン
  • (3S,3aR,4S,9bR)-3-hydroxy-3-(hydroxymethyl)-6,9-dimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
Other name (1)：
  • 2,8-Dimethyl-4α-(β-D-glucopyranosyloxy)-6α-hydroxy-10-oxobicyclo[5.3.0]decane-1,8-diene-5β-[(αS)-α-hydroxy-α-(hydroxymethyl)acetic acid]γ-lactone
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