Chem
J-GLOBAL ID：200907037444608790   Nikkaji number：J1.686.068I

Cynarascoloside C

シナラスコロシドC
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： C21H30O9
Molecular formula furigana： C21-H30-O9
Molecular weight： 426.462
InChI： InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-10,12-19,21-22,24-26H,1,4-6H2,2-3H3/t8-,9+,10+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
InChI key： HGFWSEPBYRBDOL-JVEAFJHYSA-N
SMILES： C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](C)C(=O)O[C@H]21
Systematic name  (5)：
  • (3S)-3aβ,4,5,6,6aβ,9,9aβ,9bα-オクタヒドロ-4β-(β-D-グルコピラノシルオキシ)-3β,9β-ジメチル-6-メチレンアズレノ[4,5-b]フラン-2,8(3H,7H)-ジオン
  • (3S,3aβ,6aβ,9aβ,9bα)-3β,9β-ジメチル-4β-(β-D-グルコピラノシルオキシ)-6-メチレンドデカヒドロアズレノ[4,5-b]フラン-2,8-ジオン
  • (3aR)-3β,9β-ジメチル-4β-(β-D-グルコピラノシルオキシ)-6-メチレン-3aβ,4,5,6,6aβ,9,9aβ,9bα-オクタヒドロアズレノ[4,5-b]フラン-2,8(3H,7H)-ジオン
  • (3S,3aR,4S,6aR,9S,9aR,9bR)-3,9-ジメチル-6-メチリデン-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}-ドデカヒドロアズレノ[4,5-b]フラン-2,8-ジオン
  • (3S,3aR,4S,6aR,9S,9aR,9bR)-3,9-dimethyl-6-methylidene-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2,8-dione
Other name (7)：
  • (3S)-3aβ,4,5,6,6aβ,9,9aβ,9bα-Octahydro-4β-(β-D-glucopyranosyloxy)-3β,9β-dimethyl-6-methyleneazuleno[4,5-b]furan-2,8(3H,7H)-dione
  • Cynaroglucoside C
  • シナログルコシドC
  • (3S,3aβ,6aβ,9aβ,9bα)-3β,9β-Dimethyl-4β-(β-D-glucopyranosyloxy)-6-methylenedodecahydroazuleno[4,5-b]furan-2,8-dione
  • シナラスコロシドC
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