Chem
J-GLOBAL ID：200907092520029887   Nikkaji number：J28.609E

Paucin

パウシン
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： C23H32O10
Molecular formula furigana： C23-H32-O10
Molecular weight： 468.499
InChI： InChI=1S/C23H32O10/c1-9-5-13-12(10(2)21(29)31-13)7-23(4)16(25)6-14(17(9)23)32-22-20(28)19(27)18(26)15(33-22)8-30-11(3)24/h9,12-15,17-20,22,26-28H,2,5-8H2,1,3-4H3/t9-,12-,13-,14+,15-,17-,18-,19+,20-,22-,23-/m1/s1
InChI key： GUDGKGBWXIZDPA-ZOWPBZTMSA-N
SMILES： C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1[C@H](CC2=O)O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (3aR,7aα,9aα)-3,3a,4,4a,6,7,7a,8,9,9a-デカヒドロ-7α-[(6-O-アセチル-β-D-グルコピラノシル)オキシ]-4aβ,8α-ジメチル-3-メチレンアズレノ[6,5-b]フラン-2,5-ジオン
  • [(2R,3S,4S,5R,6R)-6-{[(3aR,4aS,7S,7aS,8R,9aR)-4a,8-ジメチル-3-メチリデン-2,5-ジオキソ-ドデカヒドロアズレノ[6,5-b]フラン-7-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6R)-6-{[(3aR,4aS,7S,7aS,8R,9aR)-4a,8-dimethyl-3-methylidene-2,5-dioxo-dodecahydroazuleno[6,5-b]furan-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Other name (3)：
  • パウシン
  • Paucin
  • (3aR,7aα,9aα)-3,3a,4,4a,6,7,7a,8,9,9a-Decahydro-7α-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione
CAS registry number： 26836-43-1
KEGG COMPOUND： C09525
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